c-bone/mattergen_den_ehull · Data Studio · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 1 18	CIF stringlengths 763 1.78k	Density (g/cm^3) stringlengths 3 6	energy_above_hull stringclasses 101 values	norm_Density (g/cm^3) stringlengths 3 6	norm_energy_above_hull stringclasses 101 values
Mattergen	Ca2AgIrN	data_[Ca2Ag1Ir1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.1179] _cell_length_b [5.1...	6.589	0.0	0.2585	0.0
Mattergen	Pr2HfScAs4	data_[Pr2Hf1Sc1As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0428] _cell_length_b [4.0...	6.992	0.015	0.2743	0.15
Mattergen	CsNi(PbCl4)2	data_[Cs1Ni1Pb2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5851] _cell_length_b [7.22...	3.862	0.012	0.1515	0.12
Mattergen	SrLaGa2	data_[Sr2La2Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.3851] _cell_length_b [4.5706] _cell_length_c [11.8595] _c...	5.113	0.057	0.2006	0.57
Mattergen	Rb2CdIn4Bi3	data_[Rb2Cd1In4Bi3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.1997] _cell_length_b [5....	6.206	0.042	0.2434	0.42
Mattergen	Tm3Al8Ag3	data_[Tm6Al16Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.3904] _cell_length_b [9.6995] _cell_length_c [12.6694] _...	6.44	0.018	0.2526	0.18
Mattergen	K2Zr(AsO3)2	data_[K4Zr2As4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0288] _cell_length_b [5.790...	3.366	0.025	0.132	0.25
Mattergen	Na2ZnS2	data_[Na8Zn4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9201] _cell_length_b [7.0801] _cell_length_c [6.9017] _ce...	2.68	0.0	0.1051	0.0
Mattergen	Ce(ScSe2)2	data_[Ce4Sc8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9591] _cell_length_b [12.8579] _cell_length_c [13.4606] ...	5.291	0.002	0.2075	0.02
Mattergen	LaPdPb	data_[La3Pd3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.9099] _cell_length_b [7.9099] _cell_length_c [4.2282] _c...	9.84	0.0	0.386	0.0
Mattergen	CsSiHgTe3	data_[Cs4Si4Hg4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.7569] _cell_length_b [8...	5.088	0.017	0.1996	0.17
Mattergen	LaZn4Ru	data_[La4Zn16Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4467] _cell_length_b [7.4467] _cell_length_c [7.4467] _...	8.068	0.09	0.3165	0.9
Mattergen	GeCl4	data_[Ge4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5837] _cell_length_b [7.0282] _cell_length_c [10.6745] _cell_angle_alpha [90.0000] _c...	1.84	0.0	0.0722	0.0
Mattergen	Er2CrCo2	data_[Er4Cr2Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.7530] _cell_length_b [5.3165] _cell_length_c [8.6881] _ce...	9.663	0.083	0.379	0.83
Mattergen	SnAs3	data_[Sn6As18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.9197] _cell_length_b [7.9197] _cell_length_c [11.0306] _cell_angle_alpha [90.0000] _cell...	5.711	0.0	0.224	0.0
Mattergen	Ag4Pt7	data_[Ag8Pt14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8557] _cell_length_b [2.8057] _cell_length_c [7.0881] _cell_angle_alpha [90.0000] _cell...	16.528	0.041	0.6483	0.41
Mattergen	NaLi2BiBr6	data_[Na3Li6Bi3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.1720] _cell_length_b [7.17...	4.148	0.026	0.1627	0.26
Mattergen	Pr6Sm3Y2Er	data_[Pr12Sm6Y4Er2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3641] _cell_length_b [10.9...	6.634	0.032	0.2602	0.32
Mattergen	RbTaTlBr6	data_[Rb2Ta2Tl2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.9856] _cell_length_b [7...	4.259	0.049	0.1671	0.49
Mattergen	KRb2BiO4	data_[K4Rb8Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.1153] _cell_length_b [7.6063...	5.139	0.038	0.2016	0.38
Mattergen	RbHgGeIr	data_[Rb2Hg2Ge2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.2492] _cell_length_b [4...	7.805	0.061	0.3062	0.61
Mattergen	RbLaAu2	data_[Rb1La1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 La 1.1000 1.9500 1.1720 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9262] _cell_length_b [3.9262] _cell_length_c [8.3591] _...	7.968	0.055	0.3125	0.55
Mattergen	Rb2BaAgI5	data_[Rb8Ba4Ag4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ba 0.8900 2.1500 1.4900 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.0003] _cell_length_b [21...	4.074	0.01	0.1598	0.1
Mattergen	Cs4Ag3PbCl12	data_[Cs8Ag6Pb2Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [10.6581] _cell_length_b [...	4.081	0.023	0.1601	0.23
Mattergen	Al3Ag4	data_[Al6Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1685] _cell_length_b [2.9763] _cell_length_c [7.1763] _cell_angle_alpha [90.0000] _cell_...	7.116	0.021	0.2791	0.21
Mattergen	Lu3(Al2Sn)2	data_[Lu3Al4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.3050] _cell_length_b [7.3050] _cell_length_c [4.2559] _c...	7.347	0.083	0.2882	0.83
Mattergen	LiTbSbRh	data_[Li4Tb4Sb4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 Sb 2.0500 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6648] _cell_length_b [6....	8.762	0.036	0.3437	0.36
Mattergen	Na3Sc2InS6	data_[Na6Sc4In2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.5871] _cell_length_b [11.4...	3.088	0.019	0.1211	0.19
Mattergen	Tb2CdSn	data_[Tb8Cd4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.5111] _cell_length_b [7.5111] _cell_length_c [7.5111] _c...	8.605	0.077	0.3375	0.77
Mattergen	Tl3Te4	data_[Tl6Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.6862] _cell_length_b [4.6985] _cell_length_c [12.9559] _cell_angle_alpha [90.0000] _cell_...	7.254	0.086	0.2845	0.86
Mattergen	BeCoMo	data_[Be6Co6Mo6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Co 1.8800 1.3500 0.7683 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0235] _cell_length_b [3.2339] _cell_length_c [10.2839] ...	8.151	0.056	0.3197	0.56
Mattergen	NaLi2InHg4	data_[Na3Li6In3Hg12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.0211] _cell_length_b [5....	8.738	0.039	0.3427	0.39
Mattergen	ZnAgBiCl6	data_[Zn2Ag2Bi2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.6826] _cell_length_b [6...	4.193	0.045	0.1645	0.45
Mattergen	Na3HoF7	data_[Na6Ho2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.2484] _cell_length_b [7.9889] _cell_length_c [6.2928] _cell_...	3.85	0.037	0.151	0.37
Mattergen	Tb3HoBi4	data_[Tb6Ho2Bi8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [8.9672] _cell_length_b [12.6603] _cell_length_c [4.4960] _c...	9.614	0.0	0.3771	0.0
Mattergen	NdMgAg2	data_[Nd4Mg4Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.1619] _cell_length_b [7.1619] _cell_length_c [7.1619] _c...	6.948	0.0	0.2725	0.0
Mattergen	K2Er(OsO4)3	data_[K6Er3Os9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3419] _cell_length_b [7.3419...	5.861	0.073	0.2299	0.73
Mattergen	ZnAg2	data_[Zn2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [2.9055] _cell_length_b [2.9055] _cell_length_c [12.0407] _cell_angle_alpha [90.0000] _cel...	9.186	0.031	0.3603	0.31
Mattergen	LiAl2Zn	data_[Li2Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.6590] _cell_length_b [5.6763] _cell_length_c [4.8358] _cell...	3.262	0.031	0.128	0.31
Mattergen	CaTb3N4	data_[Ca1Tb3N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Tb 1.1000 1.7500 0.9815 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9403] _cell_length_b [4.9403] _cell_length_c [4.9403] _cel...	7.889	0.081	0.3094	0.81
Mattergen	BaNa3Tl7	data_[Ba2Na6Tl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0473] _cell_length_b [9.3941] _cell_length_c [7.1586] _...	7.329	0.094	0.2875	0.94
Mattergen	Er2Be15Ni2	data_[Er6Be45Ni6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Be 1.5700 1.0500 0.5900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8013] _cell_length_b [7.8013] _cell_length_c [11.3731] _...	4.879	0.043	0.1914	0.43
Mattergen	CeMnSi	data_[Ce4Mn4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.6336] _cell_length_b [4.2934] _cell_length_c [4.7600] _c...	6.894	0.014	0.2704	0.14
Mattergen	K4Pr3TmO8	data_[K12Pr9Tm3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2267] _cell_length_b [7.226...	5.106	0.016	0.2003	0.16
Mattergen	Tm8Ga3SiTe4	data_[Tm24Ga9Si3Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1785] _cell_length_b [8...	8.229	0.075	0.3228	0.75
Mattergen	Zr2Al2Zn	data_[Zr4Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.6882] _cell_length_b [6.6882] _cell_length_c [4.2339] _...	5.293	0.097	0.2076	0.97
Mattergen	Hf(ZrCu)2	data_[Hf2Zr4Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.5891] _cell_length_b [7.5891] _cell_length_c [3.2649] _...	8.619	0.085	0.3381	0.85
Mattergen	HoPd3	data_[Ho2Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1727] _cell_length_b [4.1727] _cell_length_c [8.1262] _cell_angle_alpha [90.0000] _cell...	11.365	0.099	0.4458	0.99
Mattergen	Ga2CuO4	data_[Ga16Cu8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.4482] _cell_length_b [8.4482] _cell_length_c [8.4482] _c...	5.882	0.076	0.2307	0.76
Mattergen	AgPt7	data_[Ag4Pt28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.9812] _cell_length_b [7.9812] _cell_length_c [7.9812] _cell_angle_alpha [90.0000] _cell...	19.251	0.052	0.7551	0.52
Mattergen	CaTeO3	data_[Ca4Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4723] _cell_length_b [8.4074] _cell_length_c [5.7347] _cel...	4.591	0.026	0.1801	0.26
Mattergen	SrLi4MgCd2	data_[Sr3Li12Mg3Cd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8562] _cell_length_b [4....	3.321	0.064	0.1303	0.64
Mattergen	BaNa5Au2	data_[Ba2Na10Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6544] _cell_length_b [9.5932] _cell_length_c [11.2645] _...	4.267	0.003	0.1674	0.03
Mattergen	GaPtO4	data_[Ga4Pt4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [6.4598] _cell_length_b [6.4598] _cell_length_c [6.2455] _c...	8.38	0.0	0.3287	0.0
Mattergen	LiHgAsS4	data_[Li2Hg2As2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.0299] _cell_length_b [6.0299...	3.826	0.03	0.1501	0.3
Mattergen	Ce2DySnC	data_[Ce2Dy1Sn1C1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.9551] _cell_length_b [4.9...	7.822	0.004	0.3068	0.04
Mattergen	Ho3Al3CoHg2	data_[Ho3Al3Co1Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.1795] _cell_length_b [7....	9.095	0.041	0.3568	0.41
Mattergen	Sm3Rh	data_[Sm12Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.2813] _cell_length_b [9.7659] _cell_length_c [6.4140] _cell_angle_alpha [90.0000] _cell_...	8.068	0.0	0.3165	0.0
Mattergen	NaLiAs2	data_[Na1Li1As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6555] _cell_length_b [3.6555] _cell_length_c [6.1488] _...	3.633	0.058	0.1425	0.58
Mattergen	Li3YbP2	data_[Li3Yb1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1884] _cell_length_b [4.1884] _cell_length_c [6.5701] _cel...	4.256	0.088	0.1669	0.88
Mattergen	Pr3Sn	data_[Pr6Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.7167] _cell_length_b [11.4275] _cell_length_c [6.0618] _cell_angle_alpha [90.0000] _cell_...	6.984	0.096	0.2739	0.96
Mattergen	ErTlIn	data_[Er2Tl2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0214] _cell_length_b [5.0214] _cell_length_c [7.2487] _c...	10.207	0.08	0.4004	0.8
Mattergen	Li2CdAg7Sb2	data_[Li4Cd2Ag14Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.9101] _cell_length_b [5....	7.998	0.066	0.3137	0.66
Mattergen	Cs2TlMoBr6	data_[Cs8Tl4Mo4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6203] _cell_length_b [...	4.426	0.032	0.1736	0.32
Mattergen	Dy2GaPPt6	data_[Dy4Ga2P2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.5583] _cell_length_b [8.55...	13.676	0.094	0.5364	0.94
Mattergen	VPd	data_[V2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [4.4270] _cell_length_b [2.6910] _cell_length_c [4.8175] _cell_angle_alpha [90.0000] _cell_ang...	9.106	0.07	0.3572	0.7
Mattergen	NaLiZrSe3	data_[Na2Li2Zr2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.4720] _cell_length_b [3...	4.005	0.01	0.1571	0.1
Mattergen	FeReMo	data_[Fe2Re2Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Re 1.9000 1.3500 0.7125 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [2.6659] _cell_length_b [2.6659] _cell_length_c [11.7008] _c...	13.498	0.096	0.5295	0.96
Mattergen	NaHo4Hg5	data_[Na1Ho4Hg5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7066] _cell_length_b [3.7066] _cell_length_c [18.7613] ...	10.859	0.013	0.4259	0.13
Mattergen	Ca3Sm2DySe6	data_[Ca6Sm4Dy2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1452] _cell_length_b [12...	5.719	0.033	0.2243	0.33
Mattergen	Sr5Rh2	data_[Sr20Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.1742] _cell_length_b [7.0196] _cell_length_c [8.0614] _cell_angle_alpha [90.0000] _cell...	4.432	0.0	0.1738	0.0
Mattergen	Ca2CdGa4Ag3	data_[Ca2Cd1Ga4Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3150] _cell_length_b [4....	6.079	0.051	0.2384	0.51
Mattergen	ZrScCu	data_[Zr8Sc8Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.0505] _cell_length_b [8.8618] _cell_length_c [10.4271] _c...	5.685	0.037	0.223	0.37
Mattergen	Ce4CoOs2	data_[Ce8Co2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Co 1.8800 1.3500 0.7683 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0865] _cell_length_b [4.1970] _cell_length_c [8.6041] _c...	10.793	0.015	0.4234	0.15
Mattergen	SrCeTlCd	data_[Sr4Ce4Tl4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.9825] _cell_length_b [7....	7.111	0.076	0.2789	0.76
Mattergen	Hf2Tl2PdSe6	data_[Hf4Tl4Pd2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.6490] _cell_length_b [11...	7.383	0.078	0.2896	0.78
Mattergen	PrTm2Sn	data_[Pr1Tm2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8733] _cell_length_b [4.8733] _cell_length_c [4.7784] _...	8.743	0.072	0.3429	0.72
Mattergen	Ti2Al3Au	data_[Ti4Al6Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.2486] _cell_length_b [5.2486] _cell_length_c [8.2122]...	6.334	0.022	0.2485	0.22
Mattergen	KFeO2	data_[K4Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.7475] _cell_length_b [5.7475] _cell_length_c [8.1016] _cell_...	3.151	0.002	0.1236	0.02
Mattergen	K3LuF6	data_[K6Lu2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Lu 1.2700 1.7500 1.0010 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.9276] _cell_length_b [11.2640] _cell_length_c [5.9771] _cell...	3.34	0.061	0.131	0.61
Mattergen	Ca3Fe2(CuAs2)2	data_[Ca3Fe2Cu2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0656] _cell_length_b [4....	5.095	0.066	0.1999	0.66
Mattergen	NaGaSn	data_[Na4Ga4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.9003] _cell_length_b [7.7546] _cell_length_c [8.0312] _ce...	4.602	0.009	0.1805	0.09
Mattergen	Li3Nd(ErTe3)2	data_[Li6Nd2Er4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5618] _cell_length_b [13...	6.006	0.01	0.2356	0.1
Mattergen	K3Mn2GeCl9	data_[K3Mn2Ge1Cl9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.2411] _cell_length_b [7.24...	2.548	0.035	0.0999	0.35
Mattergen	BaScPt2	data_[Ba1Sc1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4820] _cell_length_b [3.4820] _cell_length_c [7.5395] _...	10.399	0.094	0.4079	0.94
Mattergen	CuRh2W	data_[Cu2Rh4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Rh 2.2800 1.3500 0.7450 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9199] _cell_length_b [3.9199] _cell_length_c [7.3291] _ce...	13.365	0.049	0.5242	0.49
Mattergen	Dy2Ga3Cu4	data_[Dy8Ga12Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.5245] _cell_length_b [15.1471] _cell_length_c [7.3636] ...	8.498	0.072	0.3333	0.72
Mattergen	Pr5Cu4Ag	data_[Pr5Cu4Ag1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6572] _cell_length_b [3.6572] _cell_length_c [18.1243] ...	7.306	0.05	0.2866	0.5
Mattergen	Ca3HgPb2	data_[Ca3Hg1Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7912] _cell_length_b [3.7912] _cell_length_c [12.3885] ...	6.857	0.03	0.269	0.3
Mattergen	Tb4IrRu2	data_[Tb16Ir4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ir 2.2000 1.3500 0.7650 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.7542] _cell_length_b [12.6683] _cell_length_c [6.7499] _ce...	10.928	0.08	0.4286	0.8
Mattergen	HoZnPt2	data_[Ho1Zn1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4908] _cell_length_b [3.4908] _cell_length_c [5.9083] _...	14.311	0.056	0.5613	0.56
Mattergen	Sc6CS3N2	data_[Sc12C2S6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.9002] _cell_length_b [10.2121]...	3.825	0.005	0.15	0.05
Mattergen	KErMnSe3	data_[K2Er2Mn2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.0283] _cell_length_b [4.1...	4.654	0.024	0.1826	0.24
Mattergen	Be2Re2SiRu5	data_[Be4Re4Si2Ru10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Re 1.9000 1.3500 0.7125 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [9.2841] _cell_length_b [...	12.233	0.086	0.4798	0.86
Mattergen	TlSnBiSe3	data_[Tl2Sn2Bi2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.2284] _cell_length_b [4...	6.747	0.053	0.2647	0.53
Mattergen	Sm5Hg	data_[Sm5Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6985] _cell_length_b [3.6985] _cell_length_c [14.0268] _cell_angle_alpha [90.0000] _cel...	8.243	0.058	0.3233	0.58
Mattergen	K2InCuCl6	data_[K8In4Cu4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.1743] _cell_length_b [10...	2.96	0.054	0.1161	0.54
Mattergen	TbEr2Sn	data_[Tb1Er2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Er 1.2400 1.7500 1.0300 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8021] _cell_length_b [4.8021] _cell_length_c [4.7983] _...	9.187	0.071	0.3604	0.71
Mattergen	Ba3In4	data_[Ba6In8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6213] _cell_length_b [5.1713] _cell_length_c [22.7672] _cell_angle_alpha [90.0000] _cell_...	5.318	0.047	0.2086	0.47
Mattergen	Nb2AuS6	data_[Nb4Au2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3505] _cell_length_b [3.3387] _cell_length_c [10.6852] _c...	4.671	0.032	0.1832	0.32

Mattergen

Ca2AgIrN

data_[Ca2Ag1Ir1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.1179] _cell_length_b [5.1...

6.589

0.0

0.2585

0.0

Mattergen

Pr2HfScAs4

data_[Pr2Hf1Sc1As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0428] _cell_length_b [4.0...

6.992

0.015

0.2743

0.15

Mattergen

CsNi(PbCl4)2

data_[Cs1Ni1Pb2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5851] _cell_length_b [7.22...

3.862

0.012

0.1515

0.12

Mattergen

SrLaGa2

data_[Sr2La2Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.3851] _cell_length_b [4.5706] _cell_length_c [11.8595] _c...

5.113

0.057

0.2006

0.57

Mattergen

Rb2CdIn4Bi3

data_[Rb2Cd1In4Bi3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.1997] _cell_length_b [5....

6.206

0.042

0.2434

0.42

Mattergen

Tm3Al8Ag3

data_[Tm6Al16Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.3904] _cell_length_b [9.6995] _cell_length_c [12.6694] _...

6.44

0.018

0.2526

0.18

Mattergen

K2Zr(AsO3)2

data_[K4Zr2As4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0288] _cell_length_b [5.790...

3.366

0.025

0.132

0.25

Mattergen

Na2ZnS2

data_[Na8Zn4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9201] _cell_length_b [7.0801] _cell_length_c [6.9017] _ce...

2.68

0.0

0.1051

0.0

Mattergen

Ce(ScSe2)2

data_[Ce4Sc8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9591] _cell_length_b [12.8579] _cell_length_c [13.4606] ...

5.291

0.002

0.2075

0.02

Mattergen

LaPdPb

data_[La3Pd3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.9099] _cell_length_b [7.9099] _cell_length_c [4.2282] _c...

9.84

0.0

0.386

0.0

Mattergen

CsSiHgTe3

data_[Cs4Si4Hg4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.7569] _cell_length_b [8...

5.088

0.017

0.1996

0.17

Mattergen

LaZn4Ru

data_[La4Zn16Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4467] _cell_length_b [7.4467] _cell_length_c [7.4467] _...

8.068

0.09

0.3165

0.9

Mattergen

GeCl4

data_[Ge4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5837] _cell_length_b [7.0282] _cell_length_c [10.6745] _cell_angle_alpha [90.0000] _c...

1.84

0.0

0.0722

0.0

Mattergen

Er2CrCo2

data_[Er4Cr2Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.7530] _cell_length_b [5.3165] _cell_length_c [8.6881] _ce...

9.663

0.083

0.379

0.83

Mattergen

SnAs3

data_[Sn6As18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.9197] _cell_length_b [7.9197] _cell_length_c [11.0306] _cell_angle_alpha [90.0000] _cell...

5.711

0.0

0.224

0.0

Mattergen

Ag4Pt7

data_[Ag8Pt14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8557] _cell_length_b [2.8057] _cell_length_c [7.0881] _cell_angle_alpha [90.0000] _cell...

16.528

0.041

0.6483

0.41

Mattergen

NaLi2BiBr6

data_[Na3Li6Bi3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.1720] _cell_length_b [7.17...

4.148

0.026

0.1627

0.26

Mattergen

Pr6Sm3Y2Er

data_[Pr12Sm6Y4Er2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3641] _cell_length_b [10.9...

6.634

0.032

0.2602

0.32

Mattergen

RbTaTlBr6

data_[Rb2Ta2Tl2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.9856] _cell_length_b [7...

4.259

0.049

0.1671

0.49

Mattergen

KRb2BiO4

data_[K4Rb8Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.1153] _cell_length_b [7.6063...

5.139

0.038

0.2016

0.38

Mattergen

RbHgGeIr

data_[Rb2Hg2Ge2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.2492] _cell_length_b [4...

7.805

0.061

0.3062

0.61

Mattergen

RbLaAu2

data_[Rb1La1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 La 1.1000 1.9500 1.1720 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9262] _cell_length_b [3.9262] _cell_length_c [8.3591] _...

7.968

0.055

0.3125

0.55

Mattergen

Rb2BaAgI5

data_[Rb8Ba4Ag4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ba 0.8900 2.1500 1.4900 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.0003] _cell_length_b [21...

4.074

0.01

0.1598

0.1

Mattergen

Cs4Ag3PbCl12

data_[Cs8Ag6Pb2Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [10.6581] _cell_length_b [...

4.081

0.023

0.1601

0.23

Mattergen

Al3Ag4

data_[Al6Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1685] _cell_length_b [2.9763] _cell_length_c [7.1763] _cell_angle_alpha [90.0000] _cell_...

7.116

0.021

0.2791

0.21

Mattergen

Lu3(Al2Sn)2

data_[Lu3Al4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.3050] _cell_length_b [7.3050] _cell_length_c [4.2559] _c...

7.347

0.083

0.2882

0.83

Mattergen

LiTbSbRh

data_[Li4Tb4Sb4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 Sb 2.0500 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6648] _cell_length_b [6....

8.762

0.036

0.3437

0.36

Mattergen

Na3Sc2InS6

data_[Na6Sc4In2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.5871] _cell_length_b [11.4...

3.088

0.019

0.1211

0.19

Mattergen

Tb2CdSn

data_[Tb8Cd4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.5111] _cell_length_b [7.5111] _cell_length_c [7.5111] _c...

8.605

0.077

0.3375

0.77

Mattergen

Tl3Te4

data_[Tl6Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.6862] _cell_length_b [4.6985] _cell_length_c [12.9559] _cell_angle_alpha [90.0000] _cell_...

7.254

0.086

0.2845

0.86

Mattergen

BeCoMo

data_[Be6Co6Mo6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Co 1.8800 1.3500 0.7683 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0235] _cell_length_b [3.2339] _cell_length_c [10.2839] ...

8.151

0.056

0.3197

0.56

Mattergen

NaLi2InHg4

data_[Na3Li6In3Hg12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.0211] _cell_length_b [5....

8.738

0.039

0.3427

0.39

Mattergen

ZnAgBiCl6

data_[Zn2Ag2Bi2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.6826] _cell_length_b [6...

4.193

0.045

0.1645

0.45

Mattergen

Na3HoF7

data_[Na6Ho2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.2484] _cell_length_b [7.9889] _cell_length_c [6.2928] _cell_...

3.85

0.037

0.151

0.37

Mattergen

Tb3HoBi4

data_[Tb6Ho2Bi8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [8.9672] _cell_length_b [12.6603] _cell_length_c [4.4960] _c...

9.614

0.0

0.3771

0.0

Mattergen

NdMgAg2

data_[Nd4Mg4Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.1619] _cell_length_b [7.1619] _cell_length_c [7.1619] _c...

6.948

0.0

0.2725

0.0

Mattergen

K2Er(OsO4)3

data_[K6Er3Os9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3419] _cell_length_b [7.3419...

5.861

0.073

0.2299

0.73

Mattergen

ZnAg2

data_[Zn2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [2.9055] _cell_length_b [2.9055] _cell_length_c [12.0407] _cell_angle_alpha [90.0000] _cel...

9.186

0.031

0.3603

0.31

Mattergen

LiAl2Zn

data_[Li2Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.6590] _cell_length_b [5.6763] _cell_length_c [4.8358] _cell...

3.262

0.031

0.128

0.31

Mattergen

CaTb3N4

data_[Ca1Tb3N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Tb 1.1000 1.7500 0.9815 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9403] _cell_length_b [4.9403] _cell_length_c [4.9403] _cel...

7.889

0.081

0.3094

0.81

Mattergen

BaNa3Tl7

data_[Ba2Na6Tl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0473] _cell_length_b [9.3941] _cell_length_c [7.1586] _...

7.329

0.094

0.2875

0.94

Mattergen

Er2Be15Ni2

data_[Er6Be45Ni6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Be 1.5700 1.0500 0.5900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8013] _cell_length_b [7.8013] _cell_length_c [11.3731] _...

4.879

0.043

0.1914

0.43

Mattergen

CeMnSi

data_[Ce4Mn4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.6336] _cell_length_b [4.2934] _cell_length_c [4.7600] _c...

6.894

0.014

0.2704

0.14

Mattergen

K4Pr3TmO8

data_[K12Pr9Tm3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2267] _cell_length_b [7.226...

5.106

0.016

0.2003

0.16

Mattergen

Tm8Ga3SiTe4

data_[Tm24Ga9Si3Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1785] _cell_length_b [8...

8.229

0.075

0.3228

0.75

Mattergen

Zr2Al2Zn

data_[Zr4Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.6882] _cell_length_b [6.6882] _cell_length_c [4.2339] _...

5.293

0.097

0.2076

0.97

Mattergen

Hf(ZrCu)2

data_[Hf2Zr4Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.5891] _cell_length_b [7.5891] _cell_length_c [3.2649] _...

8.619

0.085

0.3381

0.85

Mattergen

HoPd3

data_[Ho2Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1727] _cell_length_b [4.1727] _cell_length_c [8.1262] _cell_angle_alpha [90.0000] _cell...

11.365

0.099

0.4458

0.99

Mattergen

Ga2CuO4

data_[Ga16Cu8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.4482] _cell_length_b [8.4482] _cell_length_c [8.4482] _c...

5.882

0.076

0.2307

0.76

Mattergen

AgPt7

data_[Ag4Pt28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.9812] _cell_length_b [7.9812] _cell_length_c [7.9812] _cell_angle_alpha [90.0000] _cell...

19.251

0.052

0.7551

0.52

Mattergen

CaTeO3

data_[Ca4Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4723] _cell_length_b [8.4074] _cell_length_c [5.7347] _cel...

4.591

0.026

0.1801

0.26

Mattergen

SrLi4MgCd2

data_[Sr3Li12Mg3Cd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8562] _cell_length_b [4....

3.321

0.064

0.1303

0.64

Mattergen

BaNa5Au2

data_[Ba2Na10Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6544] _cell_length_b [9.5932] _cell_length_c [11.2645] _...

4.267

0.003

0.1674

0.03

Mattergen

GaPtO4

data_[Ga4Pt4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [6.4598] _cell_length_b [6.4598] _cell_length_c [6.2455] _c...

8.38

0.0

0.3287

0.0

Mattergen

LiHgAsS4

data_[Li2Hg2As2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.0299] _cell_length_b [6.0299...

3.826

0.03

0.1501

0.3

Mattergen

Ce2DySnC

data_[Ce2Dy1Sn1C1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.9551] _cell_length_b [4.9...

7.822

0.004

0.3068

0.04

Mattergen

Ho3Al3CoHg2

data_[Ho3Al3Co1Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.1795] _cell_length_b [7....

9.095

0.041

0.3568

0.41

Mattergen

Sm3Rh

data_[Sm12Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.2813] _cell_length_b [9.7659] _cell_length_c [6.4140] _cell_angle_alpha [90.0000] _cell_...

8.068

0.0

0.3165

0.0

Mattergen

NaLiAs2

data_[Na1Li1As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6555] _cell_length_b [3.6555] _cell_length_c [6.1488] _...

3.633

0.058

0.1425

0.58

Mattergen

Li3YbP2

data_[Li3Yb1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1884] _cell_length_b [4.1884] _cell_length_c [6.5701] _cel...

4.256

0.088

0.1669

0.88

Mattergen

Pr3Sn

data_[Pr6Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.7167] _cell_length_b [11.4275] _cell_length_c [6.0618] _cell_angle_alpha [90.0000] _cell_...

6.984

0.096

0.2739

0.96

Mattergen

ErTlIn

data_[Er2Tl2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0214] _cell_length_b [5.0214] _cell_length_c [7.2487] _c...

10.207

0.08

0.4004

0.8

Mattergen

Li2CdAg7Sb2

data_[Li4Cd2Ag14Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.9101] _cell_length_b [5....

7.998

0.066

0.3137

0.66

Mattergen

Cs2TlMoBr6

data_[Cs8Tl4Mo4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6203] _cell_length_b [...

4.426

0.032

0.1736

0.32

Mattergen

Dy2GaPPt6

data_[Dy4Ga2P2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.5583] _cell_length_b [8.55...

13.676

0.094

0.5364

0.94

Mattergen

VPd

data_[V2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [4.4270] _cell_length_b [2.6910] _cell_length_c [4.8175] _cell_angle_alpha [90.0000] _cell_ang...

9.106

0.07

0.3572

0.7

Mattergen

NaLiZrSe3

data_[Na2Li2Zr2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.4720] _cell_length_b [3...

4.005

0.01

0.1571

0.1

Mattergen

FeReMo

data_[Fe2Re2Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Re 1.9000 1.3500 0.7125 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [2.6659] _cell_length_b [2.6659] _cell_length_c [11.7008] _c...

13.498

0.096

0.5295

0.96

Mattergen

NaHo4Hg5

data_[Na1Ho4Hg5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7066] _cell_length_b [3.7066] _cell_length_c [18.7613] ...

10.859

0.013

0.4259

0.13

Mattergen

Ca3Sm2DySe6

data_[Ca6Sm4Dy2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1452] _cell_length_b [12...

5.719

0.033

0.2243

0.33

Mattergen

Sr5Rh2

data_[Sr20Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.1742] _cell_length_b [7.0196] _cell_length_c [8.0614] _cell_angle_alpha [90.0000] _cell...

4.432

0.0

0.1738

0.0

Mattergen

Ca2CdGa4Ag3

data_[Ca2Cd1Ga4Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3150] _cell_length_b [4....

6.079

0.051

0.2384

0.51

Mattergen

ZrScCu

data_[Zr8Sc8Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.0505] _cell_length_b [8.8618] _cell_length_c [10.4271] _c...

5.685

0.037

0.223

0.37

Mattergen

Ce4CoOs2

data_[Ce8Co2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Co 1.8800 1.3500 0.7683 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0865] _cell_length_b [4.1970] _cell_length_c [8.6041] _c...

10.793

0.015

0.4234

0.15

Mattergen

SrCeTlCd

data_[Sr4Ce4Tl4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.9825] _cell_length_b [7....

7.111

0.076

0.2789

0.76

Mattergen

Hf2Tl2PdSe6

data_[Hf4Tl4Pd2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.6490] _cell_length_b [11...

7.383

0.078

0.2896

0.78

Mattergen

PrTm2Sn

data_[Pr1Tm2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8733] _cell_length_b [4.8733] _cell_length_c [4.7784] _...

8.743

0.072

0.3429

0.72

Mattergen

Ti2Al3Au

data_[Ti4Al6Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.2486] _cell_length_b [5.2486] _cell_length_c [8.2122]...

6.334

0.022

0.2485

0.22

Mattergen

KFeO2

data_[K4Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.7475] _cell_length_b [5.7475] _cell_length_c [8.1016] _cell_...

3.151

0.002

0.1236

0.02

Mattergen

K3LuF6

data_[K6Lu2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Lu 1.2700 1.7500 1.0010 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.9276] _cell_length_b [11.2640] _cell_length_c [5.9771] _cell...

3.34

0.061

0.131

0.61

Mattergen

Ca3Fe2(CuAs2)2

data_[Ca3Fe2Cu2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0656] _cell_length_b [4....

5.095

0.066

0.1999

0.66

Mattergen

NaGaSn

data_[Na4Ga4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.9003] _cell_length_b [7.7546] _cell_length_c [8.0312] _ce...

4.602

0.009

0.1805

0.09

Mattergen

Li3Nd(ErTe3)2

data_[Li6Nd2Er4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5618] _cell_length_b [13...

6.006

0.01

0.2356

0.1

Mattergen

K3Mn2GeCl9

data_[K3Mn2Ge1Cl9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.2411] _cell_length_b [7.24...

2.548

0.035

0.0999

0.35

Mattergen

BaScPt2

data_[Ba1Sc1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4820] _cell_length_b [3.4820] _cell_length_c [7.5395] _...

10.399

0.094

0.4079

0.94

Mattergen

CuRh2W

data_[Cu2Rh4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Rh 2.2800 1.3500 0.7450 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9199] _cell_length_b [3.9199] _cell_length_c [7.3291] _ce...

13.365

0.049

0.5242

0.49

Mattergen

Dy2Ga3Cu4

data_[Dy8Ga12Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.5245] _cell_length_b [15.1471] _cell_length_c [7.3636] ...

8.498

0.072

0.3333

0.72

Mattergen

Pr5Cu4Ag

data_[Pr5Cu4Ag1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6572] _cell_length_b [3.6572] _cell_length_c [18.1243] ...

7.306

0.05

0.2866

0.5

Mattergen

Ca3HgPb2

data_[Ca3Hg1Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7912] _cell_length_b [3.7912] _cell_length_c [12.3885] ...

6.857

0.03

0.269

0.3

Mattergen

Tb4IrRu2

data_[Tb16Ir4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ir 2.2000 1.3500 0.7650 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.7542] _cell_length_b [12.6683] _cell_length_c [6.7499] _ce...

10.928

0.08

0.4286

0.8

Mattergen

HoZnPt2

data_[Ho1Zn1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4908] _cell_length_b [3.4908] _cell_length_c [5.9083] _...

14.311

0.056

0.5613

0.56

Mattergen

Sc6CS3N2

data_[Sc12C2S6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.9002] _cell_length_b [10.2121]...

3.825

0.005

0.15

0.05

Mattergen

KErMnSe3

data_[K2Er2Mn2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.0283] _cell_length_b [4.1...

4.654

0.024

0.1826

0.24

Mattergen

Be2Re2SiRu5

data_[Be4Re4Si2Ru10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Re 1.9000 1.3500 0.7125 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [9.2841] _cell_length_b [...

12.233

0.086

0.4798

0.86

Mattergen

TlSnBiSe3

data_[Tl2Sn2Bi2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.2284] _cell_length_b [4...

6.747

0.053

0.2647

0.53

Mattergen

Sm5Hg

data_[Sm5Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6985] _cell_length_b [3.6985] _cell_length_c [14.0268] _cell_angle_alpha [90.0000] _cel...

8.243

0.058

0.3233

0.58

Mattergen

K2InCuCl6

data_[K8In4Cu4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.1743] _cell_length_b [10...

2.96

0.054

0.1161

0.54

Mattergen

TbEr2Sn

data_[Tb1Er2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Er 1.2400 1.7500 1.0300 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8021] _cell_length_b [4.8021] _cell_length_c [4.7983] _...

9.187

0.071

0.3604

0.71

Mattergen

Ba3In4

data_[Ba6In8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6213] _cell_length_b [5.1713] _cell_length_c [22.7672] _cell_angle_alpha [90.0000] _cell_...

5.318

0.047

0.2086

0.47

Mattergen

Nb2AuS6

data_[Nb4Au2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3505] _cell_length_b [3.3387] _cell_length_c [10.6852] _c...

4.671

0.032

0.1832

0.32