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	DyBeSi2Rh	data_[Dy2Be2Si4Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.8977] _cell_length_b [3....	7.054	0.002	0.2767	0.02
Mattergen	In2SnBi2Au7	data_[In4Sn2Bi4Au14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1123] _cell_length_b [5....	12.267	0.097	0.4812	0.97
Mattergen	NaHoZnSe3	data_[Na2Ho2Zn2Se6] 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 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.3727] _cell_length_b [4...	4.913	0.063	0.1927	0.63
Mattergen	Ag2HgI4	data_[Ag4Hg2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.6243] _cell_length_b [6.6243] _cell_length_c [13.1555] _ce...	5.315	0.0	0.2085	0.0
Mattergen	BaSnO3	data_[Ba4Sn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.0782] _cell_length_b [4.2638] _cell_length_c [6.3995] _ce...	5.257	0.087	0.2062	0.87
Mattergen	TbSmCoRu	data_[Tb2Sm2Co2Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Co 1.8800 1.3500 0.7683 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.0326] _cell_length_b [4.1...	8.852	0.074	0.3472	0.74
Mattergen	HfGaCuTe3	data_[Hf2Ga2Cu2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.2385] _cell_length_b [4...	6.972	0.087	0.2735	0.87
Mattergen	Rb2AgBrCl6	data_[Rb4Ag2Br2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3785] _cell_length_b [...	2.982	0.073	0.117	0.73
Mattergen	Nd3CdIn2	data_[Nd3Cd1In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7456] _cell_length_b [3.7456] _cell_length_c [12.3746] ...	7.41	0.003	0.2907	0.03
Mattergen	La2CuP4Ir3	data_[La2Cu1P4Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2603] _cell_length_b [4.26...	9.997	0.011	0.3921	0.11
Mattergen	TmBO3	data_[Tm6B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [4.9580] _cell_length_b [4.9580] _cell_length_c [16.4293] _cell...	6.488	0.0	0.2545	0.0
Mattergen	HfTi5In7	data_[Hf2Ti10In14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [5.8228] _cell_length_b [9.6064] _cell_length_c [9.9720] _...	7.273	0.09	0.2853	0.9
Mattergen	ZnSnIrRh	data_[Zn4Sn4Ir4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 Ir 2.2000 1.3500 0.7650 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2986] _cell_length_b [6....	12.739	0.033	0.4997	0.33
Mattergen	MgZnAu2	data_[Mg1Zn1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.6941] _cell_length_b [4.6941] _cell_length_c [3.1194] _...	11.684	0.042	0.4583	0.42
Mattergen	Ce(Mg2Sn)2	data_[Ce2Mg8Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.6801] _cell_length_b [8.6801] _cell_length_c [4.5794]...	4.57	0.078	0.1793	0.78
Mattergen	Tl2Hg2I7	data_[Tl4Hg4I14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1136] _cell_length_b [13.6070] _cell_length_c [7.4560] _c...	5.055	0.09	0.1983	0.9
Mattergen	V5Ga4H	data_[V10Ga8H2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.5695] _cell_length_b [8.5695] _cell_length_c [3.5608] _cel...	6.79	0.061	0.2663	0.61
Mattergen	LaTb3(BO3)4	data_[La3Tb9B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tb 1.1000 1.7500 0.9815 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [10.2421] _cell_length_b [10.24...	5.389	0.012	0.2114	0.12
Mattergen	BaIn5Pt2	data_[Ba2In10Pt4] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.5277] _cell_length_b [8.0435] _cell_length_c [11.1025] _...	9.048	0.0	0.3549	0.0
Mattergen	Mg2TaInO6	data_[Mg6Ta3In3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.3008] _cell_length_b [5.3008...	6.304	0.046	0.2473	0.46
Mattergen	CaEuGaSn	data_[Ca4Eu4Ga4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Eu 1.2000 1.8500 1.1985 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.5718] _cell_length_b [7....	5.822	0.087	0.2284	0.87
Mattergen	TbFe2SiC	data_[Tb4Fe8Si4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7792] _cell_length_b [10.44...	7.758	0.0	0.3043	0.0
Mattergen	Pr2InNi2Pd5	data_[Pr4In2Ni4Pd10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 In 1.7800 1.5500 0.9400 Ni 1.9100 1.3500 0.7400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [9.4384] _cell_length_b [...	9.599	0.0	0.3765	0.0
Mattergen	Li4Dy3BiSe8	data_[Li12Dy9Bi3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1878] _cell_length_b [8...	5.947	0.005	0.2333	0.05
Mattergen	Ba2H6PdRu	data_[Ba2H6Pd1Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.4913] _cell_length_b [5.49...	5.599	0.062	0.2196	0.62
Mattergen	La2Ni3Sb4Pd	data_[La2Ni3Sb4Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.5666] _cell_length_b [4....	8.245	0.056	0.3234	0.56
Mattergen	NaLiZn2F8	data_[Na2Li2Zn4F16] 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 Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1360] _cell_length_b [6.52...	3.462	0.046	0.1358	0.46
Mattergen	ZnIn2Bi	data_[Zn1In2Bi1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5216] _cell_length_b [3.5216] _cell_length_c [8.5083] _...	7.932	0.088	0.3111	0.88
Mattergen	ErAl(GaS3)2	data_[Er4Al4Ga8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5627] _cell_length_b [11....	3.742	0.1	0.1468	1.0
Mattergen	Na2Tm(HfS3)2	data_[Na4Tm2Hf4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4379] _cell_length_b [11.2...	5.131	0.009	0.2013	0.09
Mattergen	CaPrGe2Pt5	data_[Ca1Pr1Ge2Pt5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2887] _cell_length_b [4...	12.639	0.063	0.4958	0.63
Mattergen	La2B2Ru2C	data_[La4B4Ru4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0909] _cell_length_b [3.8148...	7.173	0.057	0.2814	0.57
Mattergen	ReNi2Ir	data_[Re1Ni2Ir1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Ni 1.9100 1.3500 0.7400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [2.6924] _cell_length_b [3.7259] _cell_length_c [5.1703] _ce...	15.874	0.067	0.6227	0.67
Mattergen	CsEuBr3	data_[Cs1Eu1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Eu 1.2000 1.8500 1.1985 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [6.0017] _cell_length_b [6.0017] _cell_length_c [6.0017] _c...	4.029	0.015	0.158	0.15
Mattergen	KSi(AgS2)2	data_[K2Si2Ag4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.7052] _cell_length_b [6.7052...	3.746	0.003	0.1469	0.03
Mattergen	Y3(Ho2In)2	data_[Y6Ho8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5961] _cell_length_b [5.2978] _cell_length_c [8.4115] _cel...	7.094	0.048	0.2783	0.48
Mattergen	La2TmIn2	data_[La4Tm2In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.0942] _cell_length_b [7.0870] _cell_length_c [8.7012] _ce...	7.151	0.037	0.2805	0.37
Mattergen	DyErTeO2	data_[Dy2Er2Te2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.7609] _cell_length_b [4.0...	8.029	0.0	0.3149	0.0
Mattergen	Pr2Pd5Au4	data_[Pr8Pd20Au16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.6016] _cell_length_b [9.3043] _cell_length_c [17.7661] ...	11.49	0.083	0.4507	0.83
Mattergen	CsErCuI5	data_[Cs4Er4Cu4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2806] _cell_length_b [13....	4.631	0.055	0.1817	0.55
Mattergen	Cs3VCl6	data_[Cs6V2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9888] _cell_length_b [7.9888] _cell_length_c [11.9821] _...	2.877	0.078	0.1129	0.78
Mattergen	SrNiP2Ir	data_[Sr2Ni2P4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.9435] _cell_length_b [3.94...	7.405	0.082	0.2905	0.82
Mattergen	Ce2NbAs3Rh4	data_[Ce2Nb1As3Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1636] _cell_length_b [4....	9.038	0.065	0.3545	0.65
Mattergen	Ba(TlHg)2	data_[Ba2Tl4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0265] _cell_length_b [5.0265] _cell_length_c [13.2519] ...	9.396	0.014	0.3686	0.14
Mattergen	Na3Tm3CrO8	data_[Na9Tm9Cr3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.5459] _cell_length_b [6.54...	6.109	0.084	0.2396	0.84
Mattergen	NdAlZnCu2	data_[Nd2Al2Zn2Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.0483] _cell_length_b [4....	6.682	0.048	0.2621	0.48
Mattergen	SmErZnAu	data_[Sm4Er4Zn4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2362] _cell_length_b [7....	10.167	0.055	0.3988	0.55
Mattergen	MnNbFeGe	data_[Mn4Nb4Fe4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.9359] _cell_length_b [5....	8.776	0.079	0.3442	0.79
Mattergen	Ca2PrTaO6	data_[Ca4Pr2Ta2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0054] _cell_length_b [5.9...	5.716	0.073	0.2242	0.73
Mattergen	Rb3Hg5Bi2	data_[Rb12Hg20Bi8] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [12.4871] _cell_length_b [16.5021] _cell_length_c [7.7671]...	6.961	0.077	0.273	0.77
Mattergen	Rb2Tm2SbSe6	data_[Rb4Tm4Sb2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1017] _cell_length_b [12...	5.074	0.023	0.199	0.23
Mattergen	Ba2GeCl6	data_[Ba4Ge2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.8781] _cell_length_b [6.8781] _cell_length_c [13.630...	2.884	0.082	0.1131	0.82
Mattergen	Er2Hf(TlTe2)3	data_[Er4Hf2Tl6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Hf 1.3000 1.5500 0.8500 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 [7.4784] _cell_length_b [12...	7.858	0.047	0.3082	0.47
Mattergen	Sr(InAg2)4	data_[Sr2In8Ag16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [9.9117] _cell_length_b [9.9117] _cell_length_c [5.7112] ...	8.345	0.069	0.3273	0.69
Mattergen	SnPbF4	data_[Sn2Pb2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.3685] _cell_length_b [4.3685] _cell_length_c [11.0854] _c...	6.309	0.03	0.2475	0.3
Mattergen	LiNbFeSi	data_[Li4Nb4Fe4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.8383] _cell_length_b [5....	6.134	0.037	0.2406	0.37
Mattergen	Ti7Bi(SbH)2	data_[Ti14Bi2Sb4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0472] _cell_length_b [4....	6.844	0.035	0.2685	0.35
Mattergen	LiAlAgF6	data_[Li2Al2Ag2F12] 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 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [4.7556] _cell_length_b [4....	3.961	0.064	0.1554	0.64
Mattergen	CsRb2TlAu2	data_[Cs2Rb4Tl2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.9216] _cell_length_b [1...	5.972	0.042	0.2343	0.42
Mattergen	TlPb2Au	data_[Tl2Pb4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.5052] _cell_length_b [5.7776] _cell_length_c [11.2877] _c...	11.851	0.072	0.4649	0.72
Mattergen	BaLiCa2	data_[Ba1Li1Ca2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [3.9228] _cell_length_b [6.1849] _cell_length_c [7.2244] _ce...	2.166	0.094	0.085	0.94
Mattergen	Na2PbCl4	data_[Na8Pb4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0170] _cell_length_b [13.3961] _cell_length_c [13.5775] ...	3.591	0.018	0.1409	0.18
Mattergen	Eu2MgPb	data_[Eu2Mg1Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.4873] _cell_length_b [5.4873] _cell_length_c [4.2887] _...	6.885	0.025	0.2701	0.25
Mattergen	Rb2HgHCl6	data_[Rb4Hg2H2Cl12] 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 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9246] _cell_length_b [7....	3.322	0.078	0.1303	0.78
Mattergen	CaCuO2	data_[Ca4Cu4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.3626] _cell_length_b [15.7773] _cell_length_c [3.8892] _cel...	4.366	0.023	0.1713	0.23
Mattergen	Cs3Tb(ErTe3)2	data_[Cs6Tb2Er4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tb 1.1000 1.7500 0.9815 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 [7.8721] _cell_length_b [13...	5.748	0.0	0.2255	0.0
Mattergen	Na3Zr(BiTe3)2	data_[Na6Zr2Bi4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.7644] _cell_length_b [13...	5.722	0.051	0.2244	0.51
Mattergen	TaMn3Tl3Se8	data_[Ta3Mn9Tl9Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5953] _cell_length_b [7....	6.822	0.027	0.2676	0.27
Mattergen	Mg(ZnCd4)2	data_[Mg2Zn4Cd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.9601] _cell_length_b [11.3538] _cell_length_c [4.8490] _...	7.174	0.084	0.2814	0.84
Mattergen	NaSr3Ta2O9	data_[Na1Sr3Ta2O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8085] _cell_length_b [5.80...	6.218	0.076	0.2439	0.76
Mattergen	La2SnHg2	data_[La4Sn2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.9541] _cell_length_b [7.9541] _cell_length_c [4.6899] _...	8.928	0.075	0.3502	0.75
Mattergen	Li2HoAgBr6	data_[Li6Ho3Ag3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ho 1.2300 1.7500 1.0410 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.0269] _cell_length_b [7.02...	4.615	0.038	0.181	0.38
Mattergen	K(CeTe2)2	data_[K3Ce6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5636] _cell_length_b [4.5636] _cell_length_c [46.5162] _ce...	4.927	0.055	0.1933	0.55
Mattergen	La6P2PtI3	data_[La12P4Pt2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5488] _cell_length_b [13.020...	6.463	0.053	0.2535	0.53
Mattergen	Er8Mg2Os	data_[Er16Mg4Os2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mg 1.3100 1.5000 0.8600 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.3429] _cell_length_b [5.3807] _cell_length_c [6.9917] _...	8.612	0.087	0.3378	0.87
Mattergen	Sm4GaCoI2	data_[Sm4Ga1Co1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5275] _cell_length_b [4.031...	6.786	0.096	0.2662	0.96
Mattergen	SrPrCu2O5	data_[Sr1Pr1Cu2O5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9029] _cell_length_b [3.9...	6.239	0.063	0.2447	0.63
Mattergen	HoI3	data_[Ho2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.9802] _cell_length_b [12.6877] _cell_length_c [7.8329] _cell_angle_alpha [90.0000] _cell_an...	4.581	0.059	0.1797	0.59
Mattergen	Sr2DySn3Au4	data_[Sr2Dy1Sn3Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.7129] _cell_length_b [4....	9.282	0.094	0.3641	0.94
Mattergen	Mn2TlAuBr8	data_[Mn2Tl1Au1Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [6.9225] _cell_length_b [6.92...	4.826	0.072	0.1893	0.72
Mattergen	SmZrAlIr2	data_[Sm2Zr2Al2Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.1658] _cell_length_b [4....	10.573	0.043	0.4147	0.43
Mattergen	SrGa4Ru	data_[Sr2Ga8Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [7.8809] _cell_length_b [4.1588] _cell_length_c [7.3743] _ce...	6.425	0.062	0.252	0.62
Mattergen	Cs2InSnCl6	data_[Cs8In4Sn4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1003] _cell_length_b [...	3.458	0.04	0.1356	0.4
Mattergen	Te2Mo(WSe2)2	data_[Te2Mo1W2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.3969] _cell_length_b [3.396...	5.468	0.027	0.2145	0.27
Mattergen	AlGaNiPd	data_[Al1Ga1Ni1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [2.9697] _cell_length_b [2.9...	8.087	0.051	0.3172	0.51
Mattergen	Cs2NaCaBr6	data_[Cs8Na4Ca4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5604] _cell_length_b [...	3.475	0.091	0.1363	0.91
Mattergen	TbSm2TmSe4	data_[Tb1Sm2Tm1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Tm 1.2500 1.7500 1.0950 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0904] _cell_length_b [4.0...	7.972	0.015	0.3127	0.15
Mattergen	LaTl2Ni3F12	data_[La3Tl6Ni9F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5197] _cell_length_b [7.51...	6.147	0.07	0.2411	0.7
Mattergen	Pr4In5Pd2	data_[Pr4In5Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 In 1.7800 1.5500 0.9400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.8654] _cell_length_b [3.7603] _cell_length_c [10.1297] _c...	7.506	0.079	0.2944	0.79
Mattergen	La2SnGe	data_[La4Sn2Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3287] _cell_length_b [4.2770] _cell_length_c [9.1916] _...	6.559	0.051	0.2573	0.51
Mattergen	Cs2In3CuF12	data_[Cs6In9Cu3F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.0217] _cell_length_b [8.02...	4.257	0.035	0.167	0.35
Mattergen	YMg(ScZn2)2	data_[Y3Mg3Sc6Zn12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7697] _cell_length_b [4.76...	4.89	0.067	0.1918	0.67
Mattergen	Rb3TmF6	data_[Rb6Tm2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.6369] _cell_length_b [6.6369] _cell_length_c [9.7162] _cel...	4.185	0.008	0.1642	0.08
Mattergen	AlV6Fe	data_[Al1V6Fe1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [Pm-3] _cell_length_a [4.7087] _cell_length_b [4.7087] _cell_length_c [4.7087] _cell...	6.179	0.0	0.2424	0.0
Mattergen	La8TeIr3I4	data_[La24Te3Ir9I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 Ir 2.2000 1.3500 0.7650 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.8031] _cell_length_b [8.8...	7.068	0.082	0.2772	0.82
Mattergen	BaHoPt2	data_[Ba1Ho1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ho 1.2300 1.7500 1.0410 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6154] _cell_length_b [3.6154] _cell_length_c [7.5791] _...	11.606	0.056	0.4552	0.56
Mattergen	Cd2GaHg	data_[Cd2Ga1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.3109] _cell_length_b [3.3109] _cell_length_c [8.4395] _...	8.887	0.052	0.3486	0.52
Mattergen	NaLa2Au3	data_[Na1La2Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [3.8018] _cell_length_b [3.8018] _cell_length_c [10.7778] ...	9.505	0.069	0.3728	0.69
Mattergen	ErAl2Ga	data_[Er1Al2Ga1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2106] _cell_length_b [4.2106] _cell_length_c [4.2950] _...	6.345	0.008	0.2489	0.08
Mattergen	CsTlAgBr3	data_[Cs2Tl2Ag2Br6] 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 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.3060] _cell_length_b [...	4.535	0.029	0.1779	0.29

Mattergen

DyBeSi2Rh

data_[Dy2Be2Si4Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.8977] _cell_length_b [3....

7.054

0.002

0.2767

0.02

Mattergen

In2SnBi2Au7

data_[In4Sn2Bi4Au14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1123] _cell_length_b [5....

12.267

0.097

0.4812

0.97

Mattergen

NaHoZnSe3

data_[Na2Ho2Zn2Se6] 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 Zn 1.6500 1.3500 0.8800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.3727] _cell_length_b [4...

4.913

0.063

0.1927

0.63

Mattergen

Ag2HgI4

data_[Ag4Hg2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.6243] _cell_length_b [6.6243] _cell_length_c [13.1555] _ce...

5.315

0.0

0.2085

0.0

Mattergen

BaSnO3

data_[Ba4Sn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.0782] _cell_length_b [4.2638] _cell_length_c [6.3995] _ce...

5.257

0.087

0.2062

0.87

Mattergen

TbSmCoRu

data_[Tb2Sm2Co2Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Co 1.8800 1.3500 0.7683 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.0326] _cell_length_b [4.1...

8.852

0.074

0.3472

0.74

Mattergen

HfGaCuTe3

data_[Hf2Ga2Cu2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.2385] _cell_length_b [4...

6.972

0.087

0.2735

0.87

Mattergen

Rb2AgBrCl6

data_[Rb4Ag2Br2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3785] _cell_length_b [...

2.982

0.073

0.117

0.73

Mattergen

Nd3CdIn2

data_[Nd3Cd1In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7456] _cell_length_b [3.7456] _cell_length_c [12.3746] ...

7.41

0.003

0.2907

0.03

Mattergen

La2CuP4Ir3

data_[La2Cu1P4Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2603] _cell_length_b [4.26...

9.997

0.011

0.3921

0.11

Mattergen

TmBO3

data_[Tm6B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [4.9580] _cell_length_b [4.9580] _cell_length_c [16.4293] _cell...

6.488

0.0

0.2545

0.0

Mattergen

HfTi5In7

data_[Hf2Ti10In14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [5.8228] _cell_length_b [9.6064] _cell_length_c [9.9720] _...

7.273

0.09

0.2853

0.9

Mattergen

ZnSnIrRh

data_[Zn4Sn4Ir4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 Ir 2.2000 1.3500 0.7650 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2986] _cell_length_b [6....

12.739

0.033

0.4997

0.33

Mattergen

MgZnAu2

data_[Mg1Zn1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.6941] _cell_length_b [4.6941] _cell_length_c [3.1194] _...

11.684

0.042

0.4583

0.42

Mattergen

Ce(Mg2Sn)2

data_[Ce2Mg8Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.6801] _cell_length_b [8.6801] _cell_length_c [4.5794]...

4.57

0.078

0.1793

0.78

Mattergen

Tl2Hg2I7

data_[Tl4Hg4I14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1136] _cell_length_b [13.6070] _cell_length_c [7.4560] _c...

5.055

0.09

0.1983

0.9

Mattergen

V5Ga4H

data_[V10Ga8H2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.5695] _cell_length_b [8.5695] _cell_length_c [3.5608] _cel...

6.79

0.061

0.2663

0.61

Mattergen

LaTb3(BO3)4

data_[La3Tb9B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tb 1.1000 1.7500 0.9815 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [10.2421] _cell_length_b [10.24...

5.389

0.012

0.2114

0.12

Mattergen

BaIn5Pt2

data_[Ba2In10Pt4] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.5277] _cell_length_b [8.0435] _cell_length_c [11.1025] _...

9.048

0.0

0.3549

0.0

Mattergen

Mg2TaInO6

data_[Mg6Ta3In3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.3008] _cell_length_b [5.3008...

6.304

0.046

0.2473

0.46

Mattergen

CaEuGaSn

data_[Ca4Eu4Ga4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Eu 1.2000 1.8500 1.1985 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.5718] _cell_length_b [7....

5.822

0.087

0.2284

0.87

Mattergen

TbFe2SiC

data_[Tb4Fe8Si4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7792] _cell_length_b [10.44...

7.758

0.0

0.3043

0.0

Mattergen

Pr2InNi2Pd5

data_[Pr4In2Ni4Pd10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 In 1.7800 1.5500 0.9400 Ni 1.9100 1.3500 0.7400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [9.4384] _cell_length_b [...

9.599

0.0

0.3765

0.0

Mattergen

Li4Dy3BiSe8

data_[Li12Dy9Bi3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1878] _cell_length_b [8...

5.947

0.005

0.2333

0.05

Mattergen

Ba2H6PdRu

data_[Ba2H6Pd1Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.4913] _cell_length_b [5.49...

5.599

0.062

0.2196

0.62

Mattergen

La2Ni3Sb4Pd

data_[La2Ni3Sb4Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.5666] _cell_length_b [4....

8.245

0.056

0.3234

0.56

Mattergen

NaLiZn2F8

data_[Na2Li2Zn4F16] 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 Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1360] _cell_length_b [6.52...

3.462

0.046

0.1358

0.46

Mattergen

ZnIn2Bi

data_[Zn1In2Bi1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5216] _cell_length_b [3.5216] _cell_length_c [8.5083] _...

7.932

0.088

0.3111

0.88

Mattergen

ErAl(GaS3)2

data_[Er4Al4Ga8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5627] _cell_length_b [11....

3.742

0.1

0.1468

1.0

Mattergen

Na2Tm(HfS3)2

data_[Na4Tm2Hf4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4379] _cell_length_b [11.2...

5.131

0.009

0.2013

0.09

Mattergen

CaPrGe2Pt5

data_[Ca1Pr1Ge2Pt5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2887] _cell_length_b [4...

12.639

0.063

0.4958

0.63

Mattergen

La2B2Ru2C

data_[La4B4Ru4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0909] _cell_length_b [3.8148...

7.173

0.057

0.2814

0.57

Mattergen

ReNi2Ir

data_[Re1Ni2Ir1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Ni 1.9100 1.3500 0.7400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [2.6924] _cell_length_b [3.7259] _cell_length_c [5.1703] _ce...

15.874

0.067

0.6227

0.67

Mattergen

CsEuBr3

data_[Cs1Eu1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Eu 1.2000 1.8500 1.1985 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [6.0017] _cell_length_b [6.0017] _cell_length_c [6.0017] _c...

4.029

0.015

0.158

0.15

Mattergen

KSi(AgS2)2

data_[K2Si2Ag4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.7052] _cell_length_b [6.7052...

3.746

0.003

0.1469

0.03

Mattergen

Y3(Ho2In)2

data_[Y6Ho8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5961] _cell_length_b [5.2978] _cell_length_c [8.4115] _cel...

7.094

0.048

0.2783

0.48

Mattergen

La2TmIn2

data_[La4Tm2In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.0942] _cell_length_b [7.0870] _cell_length_c [8.7012] _ce...

7.151

0.037

0.2805

0.37

Mattergen

DyErTeO2

data_[Dy2Er2Te2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.7609] _cell_length_b [4.0...

8.029

0.0

0.3149

0.0

Mattergen

Pr2Pd5Au4

data_[Pr8Pd20Au16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.6016] _cell_length_b [9.3043] _cell_length_c [17.7661] ...

11.49

0.083

0.4507

0.83

Mattergen

CsErCuI5

data_[Cs4Er4Cu4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2806] _cell_length_b [13....

4.631

0.055

0.1817

0.55

Mattergen

Cs3VCl6

data_[Cs6V2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9888] _cell_length_b [7.9888] _cell_length_c [11.9821] _...

2.877

0.078

0.1129

0.78

Mattergen

SrNiP2Ir

data_[Sr2Ni2P4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.9435] _cell_length_b [3.94...

7.405

0.082

0.2905

0.82

Mattergen

Ce2NbAs3Rh4

data_[Ce2Nb1As3Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1636] _cell_length_b [4....

9.038

0.065

0.3545

0.65

Mattergen

Ba(TlHg)2

data_[Ba2Tl4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0265] _cell_length_b [5.0265] _cell_length_c [13.2519] ...

9.396

0.014

0.3686

0.14

Mattergen

Na3Tm3CrO8

data_[Na9Tm9Cr3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.5459] _cell_length_b [6.54...

6.109

0.084

0.2396

0.84

Mattergen

NdAlZnCu2

data_[Nd2Al2Zn2Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.0483] _cell_length_b [4....

6.682

0.048

0.2621

0.48

Mattergen

SmErZnAu

data_[Sm4Er4Zn4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2362] _cell_length_b [7....

10.167

0.055

0.3988

0.55

Mattergen

MnNbFeGe

data_[Mn4Nb4Fe4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.9359] _cell_length_b [5....

8.776

0.079

0.3442

0.79

Mattergen

Ca2PrTaO6

data_[Ca4Pr2Ta2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0054] _cell_length_b [5.9...

5.716

0.073

0.2242

0.73

Mattergen

Rb3Hg5Bi2

data_[Rb12Hg20Bi8] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [12.4871] _cell_length_b [16.5021] _cell_length_c [7.7671]...

6.961

0.077

0.273

0.77

Mattergen

Rb2Tm2SbSe6

data_[Rb4Tm4Sb2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1017] _cell_length_b [12...

5.074

0.023

0.199

0.23

Mattergen

Ba2GeCl6

data_[Ba4Ge2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.8781] _cell_length_b [6.8781] _cell_length_c [13.630...

2.884

0.082

0.1131

0.82

Mattergen

Er2Hf(TlTe2)3

data_[Er4Hf2Tl6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Hf 1.3000 1.5500 0.8500 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 [7.4784] _cell_length_b [12...

7.858

0.047

0.3082

0.47

Mattergen

Sr(InAg2)4

data_[Sr2In8Ag16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [9.9117] _cell_length_b [9.9117] _cell_length_c [5.7112] ...

8.345

0.069

0.3273

0.69

Mattergen

SnPbF4

data_[Sn2Pb2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.3685] _cell_length_b [4.3685] _cell_length_c [11.0854] _c...

6.309

0.03

0.2475

0.3

Mattergen

LiNbFeSi

data_[Li4Nb4Fe4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.8383] _cell_length_b [5....

6.134

0.037

0.2406

0.37

Mattergen

Ti7Bi(SbH)2

data_[Ti14Bi2Sb4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0472] _cell_length_b [4....

6.844

0.035

0.2685

0.35

Mattergen

LiAlAgF6

data_[Li2Al2Ag2F12] 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 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [4.7556] _cell_length_b [4....

3.961

0.064

0.1554

0.64

Mattergen

CsRb2TlAu2

data_[Cs2Rb4Tl2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.9216] _cell_length_b [1...

5.972

0.042

0.2343

0.42

Mattergen

TlPb2Au

data_[Tl2Pb4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.5052] _cell_length_b [5.7776] _cell_length_c [11.2877] _c...

11.851

0.072

0.4649

0.72

Mattergen

BaLiCa2

data_[Ba1Li1Ca2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [3.9228] _cell_length_b [6.1849] _cell_length_c [7.2244] _ce...

2.166

0.094

0.085

0.94

Mattergen

Na2PbCl4

data_[Na8Pb4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0170] _cell_length_b [13.3961] _cell_length_c [13.5775] ...

3.591

0.018

0.1409

0.18

Mattergen

Eu2MgPb

data_[Eu2Mg1Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.4873] _cell_length_b [5.4873] _cell_length_c [4.2887] _...

6.885

0.025

0.2701

0.25

Mattergen

Rb2HgHCl6

data_[Rb4Hg2H2Cl12] 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 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9246] _cell_length_b [7....

3.322

0.078

0.1303

0.78

Mattergen

CaCuO2

data_[Ca4Cu4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.3626] _cell_length_b [15.7773] _cell_length_c [3.8892] _cel...

4.366

0.023

0.1713

0.23

Mattergen

Cs3Tb(ErTe3)2

data_[Cs6Tb2Er4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tb 1.1000 1.7500 0.9815 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 [7.8721] _cell_length_b [13...

5.748

0.0

0.2255

0.0

Mattergen

Na3Zr(BiTe3)2

data_[Na6Zr2Bi4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.7644] _cell_length_b [13...

5.722

0.051

0.2244

0.51

Mattergen

TaMn3Tl3Se8

data_[Ta3Mn9Tl9Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5953] _cell_length_b [7....

6.822

0.027

0.2676

0.27

Mattergen

Mg(ZnCd4)2

data_[Mg2Zn4Cd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.9601] _cell_length_b [11.3538] _cell_length_c [4.8490] _...

7.174

0.084

0.2814

0.84

Mattergen

NaSr3Ta2O9

data_[Na1Sr3Ta2O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8085] _cell_length_b [5.80...

6.218

0.076

0.2439

0.76

Mattergen

La2SnHg2

data_[La4Sn2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.9541] _cell_length_b [7.9541] _cell_length_c [4.6899] _...

8.928

0.075

0.3502

0.75

Mattergen

Li2HoAgBr6

data_[Li6Ho3Ag3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ho 1.2300 1.7500 1.0410 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.0269] _cell_length_b [7.02...

4.615

0.038

0.181

0.38

Mattergen

K(CeTe2)2

data_[K3Ce6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5636] _cell_length_b [4.5636] _cell_length_c [46.5162] _ce...

4.927

0.055

0.1933

0.55

Mattergen

La6P2PtI3

data_[La12P4Pt2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5488] _cell_length_b [13.020...

6.463

0.053

0.2535

0.53

Mattergen

Er8Mg2Os

data_[Er16Mg4Os2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mg 1.3100 1.5000 0.8600 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.3429] _cell_length_b [5.3807] _cell_length_c [6.9917] _...

8.612

0.087

0.3378

0.87

Mattergen

Sm4GaCoI2

data_[Sm4Ga1Co1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5275] _cell_length_b [4.031...

6.786

0.096

0.2662

0.96

Mattergen

SrPrCu2O5

data_[Sr1Pr1Cu2O5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9029] _cell_length_b [3.9...

6.239

0.063

0.2447

0.63

Mattergen

HoI3

data_[Ho2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.9802] _cell_length_b [12.6877] _cell_length_c [7.8329] _cell_angle_alpha [90.0000] _cell_an...

4.581

0.059

0.1797

0.59

Mattergen

Sr2DySn3Au4

data_[Sr2Dy1Sn3Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.7129] _cell_length_b [4....

9.282

0.094

0.3641

0.94

Mattergen

Mn2TlAuBr8

data_[Mn2Tl1Au1Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [6.9225] _cell_length_b [6.92...

4.826

0.072

0.1893

0.72

Mattergen

SmZrAlIr2

data_[Sm2Zr2Al2Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.1658] _cell_length_b [4....

10.573

0.043

0.4147

0.43

Mattergen

SrGa4Ru

data_[Sr2Ga8Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [7.8809] _cell_length_b [4.1588] _cell_length_c [7.3743] _ce...

6.425

0.062

0.252

0.62

Mattergen

Cs2InSnCl6

data_[Cs8In4Sn4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1003] _cell_length_b [...

3.458

0.04

0.1356

0.4

Mattergen

Te2Mo(WSe2)2

data_[Te2Mo1W2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.3969] _cell_length_b [3.396...

5.468

0.027

0.2145

0.27

Mattergen

AlGaNiPd

data_[Al1Ga1Ni1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [2.9697] _cell_length_b [2.9...

8.087

0.051

0.3172

0.51

Mattergen

Cs2NaCaBr6

data_[Cs8Na4Ca4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5604] _cell_length_b [...

3.475

0.091

0.1363

0.91

Mattergen

TbSm2TmSe4

data_[Tb1Sm2Tm1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Tm 1.2500 1.7500 1.0950 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0904] _cell_length_b [4.0...

7.972

0.015

0.3127

0.15

Mattergen

LaTl2Ni3F12

data_[La3Tl6Ni9F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5197] _cell_length_b [7.51...

6.147

0.07

0.2411

0.7

Mattergen

Pr4In5Pd2

data_[Pr4In5Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 In 1.7800 1.5500 0.9400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.8654] _cell_length_b [3.7603] _cell_length_c [10.1297] _c...

7.506

0.079

0.2944

0.79

Mattergen

La2SnGe

data_[La4Sn2Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3287] _cell_length_b [4.2770] _cell_length_c [9.1916] _...

6.559

0.051

0.2573

0.51

Mattergen

Cs2In3CuF12

data_[Cs6In9Cu3F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.0217] _cell_length_b [8.02...

4.257

0.035

0.167

0.35

Mattergen

YMg(ScZn2)2

data_[Y3Mg3Sc6Zn12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7697] _cell_length_b [4.76...

4.89

0.067

0.1918

0.67

Mattergen

Rb3TmF6

data_[Rb6Tm2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tm 1.2500 1.7500 1.0950 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.6369] _cell_length_b [6.6369] _cell_length_c [9.7162] _cel...

4.185

0.008

0.1642

0.08

Mattergen

AlV6Fe

data_[Al1V6Fe1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [Pm-3] _cell_length_a [4.7087] _cell_length_b [4.7087] _cell_length_c [4.7087] _cell...

6.179

0.0

0.2424

0.0

Mattergen

La8TeIr3I4

data_[La24Te3Ir9I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 Ir 2.2000 1.3500 0.7650 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.8031] _cell_length_b [8.8...

7.068

0.082

0.2772

0.82

Mattergen

BaHoPt2

data_[Ba1Ho1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ho 1.2300 1.7500 1.0410 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6154] _cell_length_b [3.6154] _cell_length_c [7.5791] _...

11.606

0.056

0.4552

0.56

Mattergen

Cd2GaHg

data_[Cd2Ga1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.3109] _cell_length_b [3.3109] _cell_length_c [8.4395] _...

8.887

0.052

0.3486

0.52

Mattergen

NaLa2Au3

data_[Na1La2Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [3.8018] _cell_length_b [3.8018] _cell_length_c [10.7778] ...

9.505

0.069

0.3728

0.69

Mattergen

ErAl2Ga

data_[Er1Al2Ga1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2106] _cell_length_b [4.2106] _cell_length_c [4.2950] _...

6.345

0.008

0.2489

0.08

Mattergen

CsTlAgBr3

data_[Cs2Tl2Ag2Br6] 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 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.3060] _cell_length_b [...

4.535

0.029

0.1779

0.29