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	Dy2Tl2H	data_[Dy8Tl8H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tl 1.6200 1.9000 1.3325 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.6799] _cell_length_b [12.2428] _cell_length_c [10.5219] _...	10.296	0.09	0.4039	0.9
Mattergen	KNaCrSe3	data_[K4Na4Cr4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.4367] _cell_length_b [13.9...	3.289	0.094	0.129	0.94
Mattergen	TmCoC	data_[Tm4Co4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2634] _cell_length_b [3.3488] _cell_length_c [5.6044] _cell...	9.669	0.08	0.3793	0.8
Mattergen	SrCdPdF6	data_[Sr1Cd1Pd1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P312] _cell_length_a [5.8192] _cell_length_b [5.819...	4.576	0.067	0.1795	0.67
Mattergen	Tl2Cr2NiS6	data_[Tl4Cr4Ni2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0602] _cell_length_b [10.5...	5.414	0.06	0.2124	0.6
Mattergen	Sn3(BiPb)2	data_[Sn6Bi4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.4569] _cell_length_b [4.9170] _cell_length_c [7.6031] _c...	9.253	0.078	0.3629	0.78
Mattergen	NaHg3Bi	data_[Na2Hg6Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.3384] _cell_length_b [5.7455] _cell_length_c [9.6450] _cell...	9.554	0.059	0.3748	0.59
Mattergen	LaTe2	data_[La4Te8] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.1028] _cell_length_b [4.5766] _cell_length_c [6.3481] _cell_angle_alpha [90.0000] _cell_...	6.073	0.074	0.2382	0.74
Mattergen	TmCu(H2Rh)4	data_[Tm3Cu3H24Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7330] _cell_length_b [5.73...	8.684	0.058	0.3406	0.58
Mattergen	LuCdAg	data_[Lu4Cd4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0528] _cell_length_b [4.3601] _cell_length_c [8.8762] _ce...	9.618	0.036	0.3773	0.36
Mattergen	YbPrAg2	data_[Yb4Pr4Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Pr 1.1300 1.8500 1.0600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.4377] _cell_length_b [7.4377] _cell_length_c [7.4377] _c...	8.551	0.0	0.3354	0.0
Mattergen	Sr2InSbO6	data_[Sr4In2Sb2O12] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8019] _cell_length_b [5....	6.053	0.0	0.2374	0.0
Mattergen	Na3Ta(TlSe3)2	data_[Na6Ta2Tl4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3094] _cell_length_b [12...	5.992	0.039	0.235	0.39
Mattergen	Hf6AlTl2	data_[Hf6Al1Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.1809] _cell_length_b [8.1809] _cell_length_c [3.4239] _c...	12.608	0.071	0.4945	0.71
Mattergen	KGd(CO3)2	data_[K4Gd4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.5407] _cell_length_b [9.7738] ...	3.779	0.0	0.1482	0.0
Mattergen	TbDyAlCu	data_[Tb1Dy1Al1Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.4795] _cell_length_b [3.4...	7.601	0.031	0.2981	0.31
Mattergen	Pr2Ga4PdAu3	data_[Pr2Ga4Pd1Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.4398] _cell_length_b [4....	10.069	0.006	0.395	0.06
Mattergen	PrEr2(TmTe2)3	data_[Pr2Er4Tm6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1045] _cell_length_b [4...	8.29	0.028	0.3252	0.28
Mattergen	TiP2W	data_[Ti2P4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.2304] _cell_length_b [3.2963] _cell_length_c [11.1645] _cell_...	8.203	0.0	0.3218	0.0
Mattergen	Tb2GaPb	data_[Tb4Ga2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.1041] _cell_length_b [4.1969] _cell_length_c [8.8023] _...	9.197	0.025	0.3608	0.25
Mattergen	HoEr2Tl	data_[Ho3Er6Tl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5405] _cell_length_b [3.5405] _cell_length_c [32.8532] _c...	9.831	0.092	0.3856	0.92
Mattergen	Ca(GeP)2	data_[Ca3Ge6P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8449] _cell_length_b [3.8449] _cell_length_c [24.7405] _cel...	3.89	0.086	0.1526	0.86
Mattergen	Sm8NiIr3I4	data_[Sm24Ni3Ir9I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ni 1.9100 1.3500 0.7400 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 [8.3156] _cell_length_b [8.3...	8.095	0.011	0.3175	0.11
Mattergen	K2LiHf3S8	data_[K6Li3Hf9S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.3774] _cell_length_b [7.3774]...	3.868	0.047	0.1517	0.47
Mattergen	K7Na3	data_[K14Na6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [13.4780] _cell_length_b [13.4780] _cell_length_c [7.9620] _cell_angle_alpha [90.0000] _cel...	0.909	0.049	0.0357	0.49
Mattergen	Zr3TlB	data_[Zr3Tl1B1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.6785] _cell_length_b [4.6785] _cell_length_c [4.6785] _cel...	7.927	0.053	0.3109	0.53
Mattergen	KBaBiBr6	data_[K2Ba2Bi2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [8.0083] _cell_length_b [8.0...	3.686	0.017	0.1446	0.17
Mattergen	Rb2Sn6Pd	data_[Rb2Sn6Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.9210] _cell_length_b [6.9210] _cell_length_c [6.5466] _c...	6.051	0.035	0.2373	0.35
Mattergen	RbCe(BiAu)2	data_[Rb1Ce1Bi2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.8639] _cell_length_b [4....	8.786	0.084	0.3446	0.84
Mattergen	Rb3Sm(DyS3)2	data_[Rb6Sm2Dy4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1202] _cell_length_b [12.3...	4.541	0.007	0.1781	0.07
Mattergen	CsNiIrS3	data_[Cs4Ni4Ir4S12] 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 Ir 2.2000 1.3500 0.7650 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4262] _cell_length_b [3.7...	5.96	0.079	0.2338	0.79
Mattergen	NaCe2(TlS2)3	data_[Na2Ce4Tl6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1869] _cell_length_b [12.4...	5.557	0.0	0.218	0.0
Mattergen	LaTm5Sb6	data_[La2Tm10Sb12] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5923] _cell_length_b [13.1538] _cell_length_c [7.5896] ...	7.963	0.009	0.3123	0.09
Mattergen	KRbCl2	data_[K3Rb3Cl6] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5111] _cell_length_b [4.5111] _cell_length_c [23.8678] _cell...	2.315	0.035	0.0908	0.35
Mattergen	Dy3(ScHg)4	data_[Dy6Sc8Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.7547] _cell_length_b [7.4605] _cell_length_c [15.7257] _c...	8.75	0.078	0.3432	0.78
Mattergen	K(AgCl2)2	data_[K8Ag16Cl32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.5679] _cell_length_b [12.3538] _cell_length_c [15.4279] _...	3.227	0.031	0.1266	0.31
Mattergen	Ce5ZnRh6	data_[Ce10Zn2Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zn 1.6500 1.3500 0.8800 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3820] _cell_length_b [13.4858] _cell_length_c [7.0541] ...	9.226	0.076	0.3619	0.76
Mattergen	TbHoBiN	data_[Tb2Ho2Bi2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.5781] _cell_length_b [4.5...	9.563	0.061	0.3751	0.61
Mattergen	TbErTePb	data_[Tb1Er1Te1Pb1] 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 Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.4133] _cell_length_b [4...	9.085	0.099	0.3564	0.99
Mattergen	Y3TlCo	data_[Y12Tl4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.7776] _cell_length_b [4.0098] _cell_length_c [10.4031] _c...	6.667	0.053	0.2615	0.53
Mattergen	LiHf3(TlSe2)4	data_[Li3Hf9Tl12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 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 [7.8149] _cell_length_b [7...	7.914	0.047	0.3104	0.47
Mattergen	Ce2TmTl3	data_[Ce2Tm1Tl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tm 1.2500 1.7500 1.0950 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4675] _cell_length_b [3.4675] _cell_length_c [13.6536] ...	10.745	0.016	0.4215	0.16
Mattergen	Pr2SmY	data_[Pr2Sm1Y1] 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 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.1843] _cell_length_b [5.1843] _cell_length_c [5.1439] _ce...	6.259	0.025	0.2455	0.25
Mattergen	KRbIn2Pt	data_[K1Rb1In2Pt1] 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 In 1.7800 1.5500 0.9400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.2874] _cell_length_b [5.2...	5.168	0.097	0.2027	0.97
Mattergen	MgBi4Pb5	data_[Mg2Bi8Pb10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.3272] _cell_length_b [5.2820] _cell_length_c [7.0097] _...	9.908	0.059	0.3886	0.59
Mattergen	Na3TlRh3O8	data_[Na9Tl3Rh9O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.3984] _cell_length_b [6.39...	6.227	0.086	0.2443	0.86
Mattergen	Y2CdS4	data_[Y16Cd8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.3140] _cell_length_b [11.3140] _cell_length_c [11.3140] _...	3.839	0.0	0.1506	0.0
Mattergen	Cs2Li(InBr3)2	data_[Cs4Li2In4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.1185] _cell_length_b [8...	3.599	0.097	0.1412	0.97
Mattergen	HoTmAlAu	data_[Ho1Tm1Al1Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.4723] _cell_length_b [3.4...	10.09	0.05	0.3958	0.5
Mattergen	K3Rb3CdBr8	data_[K9Rb9Cd3Br24] 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 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.5008] _cell_length_b [9.50...	3.008	0.009	0.118	0.09
Mattergen	PrSmPCl	data_[Pr3Sm3P3Cl3] 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 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.0251] _cell_length_b [4.0251...	5.789	0.043	0.2271	0.43
Mattergen	CsInBi4	data_[Cs4In4Bi16] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.8618] _cell_length_b [8.2601] _cell_length_c [8.0128] _...	7.425	0.088	0.2912	0.88
Mattergen	Zr2NiS4	data_[Zr4Ni2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.3335] _cell_length_b [3.6933] _cell_length_c [6.3091] _cell_...	4.482	0.0	0.1758	0.0
Mattergen	LiLa2Zn3Sn4	data_[Li1La2Zn3Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.6599] _cell_length_b [4....	6.605	0.044	0.2591	0.44
Mattergen	NaDySnBr6	data_[Na2Dy2Sn2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.3599] _cell_length_b [7...	4.246	0.026	0.1665	0.26
Mattergen	LaNiAs	data_[La3Ni3As3] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.1554] _cell_length_b [4.1554] _cell_length_c [12.0340] _...	7.544	0.014	0.2959	0.14
Mattergen	Na2CeTmSe4	data_[Na2Ce1Tm1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 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 [7.2906] _cell_length_b [4.1...	5.209	0.021	0.2043	0.21
Mattergen	InSbPt	data_[In4Sb4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.5451] _cell_length_b [6.5451] _cell_length_c [6.5451] _c...	10.226	0.085	0.4011	0.85
Mattergen	Tl3CuNi2F9	data_[Tl3Cu1Ni2F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8709] _cell_length_b [5.87...	7.461	0.026	0.2927	0.26
Mattergen	Er5Ru4Rh	data_[Er5Ru4Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ru 2.2000 1.3000 0.6610 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.3719] _cell_length_b [3.3719] _cell_length_c [17.0788] ...	11.489	0.021	0.4507	0.21
Mattergen	CaSiAg	data_[Ca3Si3Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.0380] _cell_length_b [7.0380] _cell_length_c [4.4141] _c...	4.631	0.092	0.1817	0.92
Mattergen	Er5Hg2	data_[Er20Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.1277] _cell_length_b [7.2614] _cell_length_c [6.7059] _cell_angle_alpha [90.0000] _cell...	10.468	0.07	0.4106	0.7
Mattergen	Nd2Dy(Y2Er)3	data_[Nd4Dy2Y12Er6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Dy 1.2200 1.7500 1.1310 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 [6.2236] _cell_length_b [10.7...	6.292	0.024	0.2468	0.24
Mattergen	La2BrN	data_[La4Br2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7880] _cell_length_b [3.7880] _cell_length_c [15.1680] ...	6.55	0.015	0.2569	0.15
Mattergen	Cs2NiBrCl6	data_[Cs4Ni2Br2Cl12] 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 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.8404] _cell_length_b [9....	3.285	0.057	0.1289	0.57
Mattergen	Na3Mg2RhO6	data_[Na6Mg4Rh2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3363] _cell_length_b [9.24...	3.954	0.0	0.1551	0.0
Mattergen	NbV5Ga6	data_[Nb1V5Ga6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.8362] _cell_length_b [5.3929] _cell_length_c [6.7096] _cell...	7.28	0.058	0.2856	0.58
Mattergen	YbNdNi2	data_[Yb4Nd4Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Nd 1.1400 1.8500 1.2765 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8086] _cell_length_b [6.8086] _cell_length_c [6.8086] _c...	9.147	0.067	0.3588	0.67
Mattergen	HfHgS2	data_[Hf4Hg4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.7392] _cell_length_b [3.6145] _cell_length_c [6.2977] _cell_...	6.644	0.012	0.2606	0.12
Mattergen	Sm(AgS)3	data_[Sm6Ag18S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.3316] _cell_length_b [7.3316] _cell_length_c [20.2814] _ce...	6.017	0.036	0.236	0.36
Mattergen	PrNdFe4	data_[Pr4Nd4Fe16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Nd 1.1400 1.8500 1.2765 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4705] _cell_length_b [7.4705] _cell_length_c [7.4705] _...	8.102	0.1	0.3178	1.0
Mattergen	CaCoGe2	data_[Ca4Co4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.2724] _cell_length_b [16.7483] _cell_length_c [4.1530] _c...	5.46	0.075	0.2142	0.75
Mattergen	Tm4Hg5Ir2	data_[Tm4Hg5Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Hg 2.0000 1.5000 1.2450 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.6796] _cell_length_b [3.5912] _cell_length_c [9.4273] _ce...	13.235	0.006	0.5191	0.06
Mattergen	Ho4HfZr3N8	data_[Ho12Hf3Zr9N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.6568] _cell_length_b [6.6...	9.634	0.0	0.3779	0.0
Mattergen	LiNd(MgCd2)2	data_[Li3Nd3Mg6Cd12] 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 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 [4.9386] _cell_length_b [4....	5.929	0.045	0.2326	0.45
Mattergen	Pr2ZnGe	data_[Pr4Zn2Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0959] _cell_length_b [4.1917] _cell_length_c [8.7585] _...	6.626	0.067	0.2599	0.67
Mattergen	HoZr3Zn8	data_[Ho3Zr9Zn24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.2976] _cell_length_b [5.2976] _cell_length_c [25.9364] _c...	7.601	0.037	0.2981	0.37
Mattergen	Rb5CuHgO2	data_[Rb5Cu1Hg1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.8305] _cell_length_b [5.8...	3.734	0.037	0.1465	0.37
Mattergen	TbInI	data_[Tb2In2I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.5269] _cell_length_b [4.5269] _cell_length_c [12.0126] _ce...	6.241	0.063	0.2448	0.63
Mattergen	Li2Er2ScTl2	data_[Li6Er6Sc3Tl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7541] _cell_length_b [4.7...	7.841	0.092	0.3076	0.92
Mattergen	SmAsHPd	data_[Sm1As1H1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.3683] _cell_length_b [4.368...	8.487	0.008	0.3329	0.08
Mattergen	TaAlGe	data_[Ta8Al8Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [5.0887] _cell_length_b [8.9921] _cell_length_c [8.5769] _ce...	9.497	0.033	0.3725	0.33
Mattergen	HoErZnGa	data_[Ho4Er4Zn4Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.0723] _cell_length_b [7....	8.775	0.009	0.3442	0.09
Mattergen	NaLi2AsS4	data_[Na2Li4As2S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.3339] _cell_length_b [6.33...	2.305	0.0	0.0904	0.0
Mattergen	Na2Mn(CrS3)2	data_[Na4Mn2Cr4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0664] _cell_length_b [10.4...	3.112	0.0	0.1221	0.0
Mattergen	SmEuSn2	data_[Sm2Eu2Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Eu 1.2000 1.8500 1.1985 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0645] _cell_length_b [5.0645] _cell_length_c [9.0905] _...	7.688	0.097	0.3016	0.97
Mattergen	Pr2Ga3CuNi4	data_[Pr2Ga3Cu1Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1532] _cell_length_b [4....	7.653	0.025	0.3002	0.25
Mattergen	LaTb2Ho	data_[La3Tb6Ho3] 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 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.6177] _cell_length_b [3.6177] _cell_length_c [34.9744] _ce...	7.813	0.016	0.3065	0.16
Mattergen	ZrIn	data_[Zr1In1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.1636] _cell_length_b [3.1636] _cell_length_c [4.4577] _cell_angle_alpha [90.0000] _cell...	7.669	0.0	0.3008	0.0
Mattergen	Li2Ce3(As2Pd)2	data_[Li2Ce3As4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3565] _cell_length_b [4....	6.555	0.032	0.2571	0.32
Mattergen	LiSmInPd	data_[Li4Sm4In4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 In 1.7800 1.5500 0.9400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8958] _cell_length_b [6....	7.668	0.066	0.3008	0.66
Mattergen	MgSnPd	data_[Mg2Sn2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.5997] _cell_length_b [3.5997] _cell_length_c [8.8872] _ce...	7.193	0.085	0.2821	0.85
Mattergen	TbCe(SiNi)2	data_[Tb1Ce1Si2Ni2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0472] _cell_length_b [4....	7.058	0.011	0.2768	0.11
Mattergen	PrEu2Zn	data_[Pr1Eu2Zn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7344] _cell_length_b [3.7344] _cell_length_c [9.3453] _...	6.501	0.049	0.255	0.49
Mattergen	CsKTlPd	data_[Cs3K3Tl3Pd3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.8154] _cell_length_b [4.8154...	4.307	0.048	0.1689	0.48
Mattergen	Na3Zr(BiS3)2	data_[Na6Zr2Bi4S12] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.0079] _cell_length_b [12.2...	4.535	0.088	0.1779	0.88
Mattergen	Na2NiAgH6	data_[Na2Ni1Ag1H6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 Ag 1.9300 1.6000 1.0867 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0249] _cell_length_b [5.02...	3.275	0.097	0.1285	0.97
Mattergen	CuPPd	data_[Cu4P4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.6348] _cell_length_b [5.6348] _cell_length_c [5.6348] _cel...	7.46	0.094	0.2926	0.94
Mattergen	Nb5As4	data_[Nb10As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [9.9645] _cell_length_b [9.9645] _cell_length_c [3.4538] _cell_angle_alpha [90.0000] _cell_...	7.401	0.016	0.2903	0.16
Mattergen	CsNdPbBr6	data_[Cs4Nd4Pb4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [10.5688] _cell_length_b [1...	3.559	0.059	0.1396	0.59

Mattergen

Dy2Tl2H

data_[Dy8Tl8H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tl 1.6200 1.9000 1.3325 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.6799] _cell_length_b [12.2428] _cell_length_c [10.5219] _...

10.296

0.09

0.4039

0.9

Mattergen

KNaCrSe3

data_[K4Na4Cr4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.4367] _cell_length_b [13.9...

3.289

0.094

0.129

0.94

Mattergen

TmCoC

data_[Tm4Co4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2634] _cell_length_b [3.3488] _cell_length_c [5.6044] _cell...

9.669

0.08

0.3793

0.8

Mattergen

SrCdPdF6

data_[Sr1Cd1Pd1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P312] _cell_length_a [5.8192] _cell_length_b [5.819...

4.576

0.067

0.1795

0.67

Mattergen

Tl2Cr2NiS6

data_[Tl4Cr4Ni2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0602] _cell_length_b [10.5...

5.414

0.06

0.2124

0.6

Mattergen

Sn3(BiPb)2

data_[Sn6Bi4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.4569] _cell_length_b [4.9170] _cell_length_c [7.6031] _c...

9.253

0.078

0.3629

0.78

Mattergen

NaHg3Bi

data_[Na2Hg6Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.3384] _cell_length_b [5.7455] _cell_length_c [9.6450] _cell...

9.554

0.059

0.3748

0.59

Mattergen

LaTe2

data_[La4Te8] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.1028] _cell_length_b [4.5766] _cell_length_c [6.3481] _cell_angle_alpha [90.0000] _cell_...

6.073

0.074

0.2382

0.74

Mattergen

TmCu(H2Rh)4

data_[Tm3Cu3H24Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7330] _cell_length_b [5.73...

8.684

0.058

0.3406

0.58

Mattergen

LuCdAg

data_[Lu4Cd4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0528] _cell_length_b [4.3601] _cell_length_c [8.8762] _ce...

9.618

0.036

0.3773

0.36

Mattergen

YbPrAg2

data_[Yb4Pr4Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Pr 1.1300 1.8500 1.0600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.4377] _cell_length_b [7.4377] _cell_length_c [7.4377] _c...

8.551

0.0

0.3354

0.0

Mattergen

Sr2InSbO6

data_[Sr4In2Sb2O12] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8019] _cell_length_b [5....

6.053

0.0

0.2374

0.0

Mattergen

Na3Ta(TlSe3)2

data_[Na6Ta2Tl4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3094] _cell_length_b [12...

5.992

0.039

0.235

0.39

Mattergen

Hf6AlTl2

data_[Hf6Al1Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.1809] _cell_length_b [8.1809] _cell_length_c [3.4239] _c...

12.608

0.071

0.4945

0.71

Mattergen

KGd(CO3)2

data_[K4Gd4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.5407] _cell_length_b [9.7738] ...

3.779

0.0

0.1482

0.0

Mattergen

TbDyAlCu

data_[Tb1Dy1Al1Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.4795] _cell_length_b [3.4...

7.601

0.031

0.2981

0.31

Mattergen

Pr2Ga4PdAu3

data_[Pr2Ga4Pd1Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.4398] _cell_length_b [4....

10.069

0.006

0.395

0.06

Mattergen

PrEr2(TmTe2)3

data_[Pr2Er4Tm6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1045] _cell_length_b [4...

8.29

0.028

0.3252

0.28

Mattergen

TiP2W

data_[Ti2P4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.2304] _cell_length_b [3.2963] _cell_length_c [11.1645] _cell_...

8.203

0.0

0.3218

0.0

Mattergen

Tb2GaPb

data_[Tb4Ga2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.1041] _cell_length_b [4.1969] _cell_length_c [8.8023] _...

9.197

0.025

0.3608

0.25

Mattergen

HoEr2Tl

data_[Ho3Er6Tl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5405] _cell_length_b [3.5405] _cell_length_c [32.8532] _c...

9.831

0.092

0.3856

0.92

Mattergen

Ca(GeP)2

data_[Ca3Ge6P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8449] _cell_length_b [3.8449] _cell_length_c [24.7405] _cel...

3.89

0.086

0.1526

0.86

Mattergen

Sm8NiIr3I4

data_[Sm24Ni3Ir9I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ni 1.9100 1.3500 0.7400 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 [8.3156] _cell_length_b [8.3...

8.095

0.011

0.3175

0.11

Mattergen

K2LiHf3S8

data_[K6Li3Hf9S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.3774] _cell_length_b [7.3774]...

3.868

0.047

0.1517

0.47

Mattergen

K7Na3

data_[K14Na6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [13.4780] _cell_length_b [13.4780] _cell_length_c [7.9620] _cell_angle_alpha [90.0000] _cel...

0.909

0.049

0.0357

0.49

Mattergen

Zr3TlB

data_[Zr3Tl1B1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.6785] _cell_length_b [4.6785] _cell_length_c [4.6785] _cel...

7.927

0.053

0.3109

0.53

Mattergen

KBaBiBr6

data_[K2Ba2Bi2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [8.0083] _cell_length_b [8.0...

3.686

0.017

0.1446

0.17

Mattergen

Rb2Sn6Pd

data_[Rb2Sn6Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.9210] _cell_length_b [6.9210] _cell_length_c [6.5466] _c...

6.051

0.035

0.2373

0.35

Mattergen

RbCe(BiAu)2

data_[Rb1Ce1Bi2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.8639] _cell_length_b [4....

8.786

0.084

0.3446

0.84

Mattergen

Rb3Sm(DyS3)2

data_[Rb6Sm2Dy4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1202] _cell_length_b [12.3...

4.541

0.007

0.1781

0.07

Mattergen

CsNiIrS3

data_[Cs4Ni4Ir4S12] 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 Ir 2.2000 1.3500 0.7650 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4262] _cell_length_b [3.7...

5.96

0.079

0.2338

0.79

Mattergen

NaCe2(TlS2)3

data_[Na2Ce4Tl6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1869] _cell_length_b [12.4...

5.557

0.0

0.218

0.0

Mattergen

LaTm5Sb6

data_[La2Tm10Sb12] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5923] _cell_length_b [13.1538] _cell_length_c [7.5896] ...

7.963

0.009

0.3123

0.09

Mattergen

KRbCl2

data_[K3Rb3Cl6] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5111] _cell_length_b [4.5111] _cell_length_c [23.8678] _cell...

2.315

0.035

0.0908

0.35

Mattergen

Dy3(ScHg)4

data_[Dy6Sc8Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.7547] _cell_length_b [7.4605] _cell_length_c [15.7257] _c...

8.75

0.078

0.3432

0.78

Mattergen

K(AgCl2)2

data_[K8Ag16Cl32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.5679] _cell_length_b [12.3538] _cell_length_c [15.4279] _...

3.227

0.031

0.1266

0.31

Mattergen

Ce5ZnRh6

data_[Ce10Zn2Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zn 1.6500 1.3500 0.8800 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3820] _cell_length_b [13.4858] _cell_length_c [7.0541] ...

9.226

0.076

0.3619

0.76

Mattergen

TbHoBiN

data_[Tb2Ho2Bi2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.5781] _cell_length_b [4.5...

9.563

0.061

0.3751

0.61

Mattergen

TbErTePb

data_[Tb1Er1Te1Pb1] 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 Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.4133] _cell_length_b [4...

9.085

0.099

0.3564

0.99

Mattergen

Y3TlCo

data_[Y12Tl4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.7776] _cell_length_b [4.0098] _cell_length_c [10.4031] _c...

6.667

0.053

0.2615

0.53

Mattergen

LiHf3(TlSe2)4

data_[Li3Hf9Tl12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 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 [7.8149] _cell_length_b [7...

7.914

0.047

0.3104

0.47

Mattergen

Ce2TmTl3

data_[Ce2Tm1Tl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tm 1.2500 1.7500 1.0950 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4675] _cell_length_b [3.4675] _cell_length_c [13.6536] ...

10.745

0.016

0.4215

0.16

Mattergen

Pr2SmY

data_[Pr2Sm1Y1] 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 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.1843] _cell_length_b [5.1843] _cell_length_c [5.1439] _ce...

6.259

0.025

0.2455

0.25

Mattergen

KRbIn2Pt

data_[K1Rb1In2Pt1] 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 In 1.7800 1.5500 0.9400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.2874] _cell_length_b [5.2...

5.168

0.097

0.2027

0.97

Mattergen

MgBi4Pb5

data_[Mg2Bi8Pb10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.3272] _cell_length_b [5.2820] _cell_length_c [7.0097] _...

9.908

0.059

0.3886

0.59

Mattergen

Na3TlRh3O8

data_[Na9Tl3Rh9O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.3984] _cell_length_b [6.39...

6.227

0.086

0.2443

0.86

Mattergen

Y2CdS4

data_[Y16Cd8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.3140] _cell_length_b [11.3140] _cell_length_c [11.3140] _...

3.839

0.0

0.1506

0.0

Mattergen

Cs2Li(InBr3)2

data_[Cs4Li2In4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.1185] _cell_length_b [8...

3.599

0.097

0.1412

0.97

Mattergen

HoTmAlAu

data_[Ho1Tm1Al1Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.4723] _cell_length_b [3.4...

10.09

0.05

0.3958

0.5

Mattergen

K3Rb3CdBr8

data_[K9Rb9Cd3Br24] 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 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.5008] _cell_length_b [9.50...

3.008

0.009

0.118

0.09

Mattergen

PrSmPCl

data_[Pr3Sm3P3Cl3] 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 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.0251] _cell_length_b [4.0251...

5.789

0.043

0.2271

0.43

Mattergen

CsInBi4

data_[Cs4In4Bi16] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.8618] _cell_length_b [8.2601] _cell_length_c [8.0128] _...

7.425

0.088

0.2912

0.88

Mattergen

Zr2NiS4

data_[Zr4Ni2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.3335] _cell_length_b [3.6933] _cell_length_c [6.3091] _cell_...

4.482

0.0

0.1758

0.0

Mattergen

LiLa2Zn3Sn4

data_[Li1La2Zn3Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.6599] _cell_length_b [4....

6.605

0.044

0.2591

0.44

Mattergen

NaDySnBr6

data_[Na2Dy2Sn2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.3599] _cell_length_b [7...

4.246

0.026

0.1665

0.26

Mattergen

LaNiAs

data_[La3Ni3As3] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.1554] _cell_length_b [4.1554] _cell_length_c [12.0340] _...

7.544

0.014

0.2959

0.14

Mattergen

Na2CeTmSe4

data_[Na2Ce1Tm1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 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 [7.2906] _cell_length_b [4.1...

5.209

0.021

0.2043

0.21

Mattergen

InSbPt

data_[In4Sb4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.5451] _cell_length_b [6.5451] _cell_length_c [6.5451] _c...

10.226

0.085

0.4011

0.85

Mattergen

Tl3CuNi2F9

data_[Tl3Cu1Ni2F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.8709] _cell_length_b [5.87...

7.461

0.026

0.2927

0.26

Mattergen

Er5Ru4Rh

data_[Er5Ru4Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ru 2.2000 1.3000 0.6610 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.3719] _cell_length_b [3.3719] _cell_length_c [17.0788] ...

11.489

0.021

0.4507

0.21

Mattergen

CaSiAg

data_[Ca3Si3Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.0380] _cell_length_b [7.0380] _cell_length_c [4.4141] _c...

4.631

0.092

0.1817

0.92

Mattergen

Er5Hg2

data_[Er20Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.1277] _cell_length_b [7.2614] _cell_length_c [6.7059] _cell_angle_alpha [90.0000] _cell...

10.468

0.07

0.4106

0.7

Mattergen

Nd2Dy(Y2Er)3

data_[Nd4Dy2Y12Er6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Dy 1.2200 1.7500 1.1310 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 [6.2236] _cell_length_b [10.7...

6.292

0.024

0.2468

0.24

Mattergen

La2BrN

data_[La4Br2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.7880] _cell_length_b [3.7880] _cell_length_c [15.1680] ...

6.55

0.015

0.2569

0.15

Mattergen

Cs2NiBrCl6

data_[Cs4Ni2Br2Cl12] 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 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.8404] _cell_length_b [9....

3.285

0.057

0.1289

0.57

Mattergen

Na3Mg2RhO6

data_[Na6Mg4Rh2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3363] _cell_length_b [9.24...

3.954

0.0

0.1551

0.0

Mattergen

NbV5Ga6

data_[Nb1V5Ga6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.8362] _cell_length_b [5.3929] _cell_length_c [6.7096] _cell...

7.28

0.058

0.2856

0.58

Mattergen

YbNdNi2

data_[Yb4Nd4Ni8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Nd 1.1400 1.8500 1.2765 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8086] _cell_length_b [6.8086] _cell_length_c [6.8086] _c...

9.147

0.067

0.3588

0.67

Mattergen

HfHgS2

data_[Hf4Hg4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.7392] _cell_length_b [3.6145] _cell_length_c [6.2977] _cell_...

6.644

0.012

0.2606

0.12

Mattergen

Sm(AgS)3

data_[Sm6Ag18S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.3316] _cell_length_b [7.3316] _cell_length_c [20.2814] _ce...

6.017

0.036

0.236

0.36

Mattergen

PrNdFe4

data_[Pr4Nd4Fe16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Nd 1.1400 1.8500 1.2765 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4705] _cell_length_b [7.4705] _cell_length_c [7.4705] _...

8.102

0.1

0.3178

1.0

Mattergen

CaCoGe2

data_[Ca4Co4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.2724] _cell_length_b [16.7483] _cell_length_c [4.1530] _c...

5.46

0.075

0.2142

0.75

Mattergen

Tm4Hg5Ir2

data_[Tm4Hg5Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Hg 2.0000 1.5000 1.2450 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.6796] _cell_length_b [3.5912] _cell_length_c [9.4273] _ce...

13.235

0.006

0.5191

0.06

Mattergen

Ho4HfZr3N8

data_[Ho12Hf3Zr9N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.6568] _cell_length_b [6.6...

9.634

0.0

0.3779

0.0

Mattergen

LiNd(MgCd2)2

data_[Li3Nd3Mg6Cd12] 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 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 [4.9386] _cell_length_b [4....

5.929

0.045

0.2326

0.45

Mattergen

Pr2ZnGe

data_[Pr4Zn2Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0959] _cell_length_b [4.1917] _cell_length_c [8.7585] _...

6.626

0.067

0.2599

0.67

Mattergen

HoZr3Zn8

data_[Ho3Zr9Zn24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.2976] _cell_length_b [5.2976] _cell_length_c [25.9364] _c...

7.601

0.037

0.2981

0.37

Mattergen

Rb5CuHgO2

data_[Rb5Cu1Hg1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.8305] _cell_length_b [5.8...

3.734

0.037

0.1465

0.37

Mattergen

TbInI

data_[Tb2In2I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.5269] _cell_length_b [4.5269] _cell_length_c [12.0126] _ce...

6.241

0.063

0.2448

0.63

Mattergen

Li2Er2ScTl2

data_[Li6Er6Sc3Tl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7541] _cell_length_b [4.7...

7.841

0.092

0.3076

0.92

Mattergen

SmAsHPd

data_[Sm1As1H1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.3683] _cell_length_b [4.368...

8.487

0.008

0.3329

0.08

Mattergen

TaAlGe

data_[Ta8Al8Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [5.0887] _cell_length_b [8.9921] _cell_length_c [8.5769] _ce...

9.497

0.033

0.3725

0.33

Mattergen

HoErZnGa

data_[Ho4Er4Zn4Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.0723] _cell_length_b [7....

8.775

0.009

0.3442

0.09

Mattergen

NaLi2AsS4

data_[Na2Li4As2S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.3339] _cell_length_b [6.33...

2.305

0.0

0.0904

0.0

Mattergen

Na2Mn(CrS3)2

data_[Na4Mn2Cr4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0664] _cell_length_b [10.4...

3.112

0.0

0.1221

0.0

Mattergen

SmEuSn2

data_[Sm2Eu2Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Eu 1.2000 1.8500 1.1985 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.0645] _cell_length_b [5.0645] _cell_length_c [9.0905] _...

7.688

0.097

0.3016

0.97

Mattergen

Pr2Ga3CuNi4

data_[Pr2Ga3Cu1Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1532] _cell_length_b [4....

7.653

0.025

0.3002

0.25

Mattergen

LaTb2Ho

data_[La3Tb6Ho3] 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 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.6177] _cell_length_b [3.6177] _cell_length_c [34.9744] _ce...

7.813

0.016

0.3065

0.16

Mattergen

ZrIn

data_[Zr1In1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.1636] _cell_length_b [3.1636] _cell_length_c [4.4577] _cell_angle_alpha [90.0000] _cell...

7.669

0.0

0.3008

0.0

Mattergen

Li2Ce3(As2Pd)2

data_[Li2Ce3As4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3565] _cell_length_b [4....

6.555

0.032

0.2571

0.32

Mattergen

LiSmInPd

data_[Li4Sm4In4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 In 1.7800 1.5500 0.9400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8958] _cell_length_b [6....

7.668

0.066

0.3008

0.66

Mattergen

MgSnPd

data_[Mg2Sn2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.5997] _cell_length_b [3.5997] _cell_length_c [8.8872] _ce...

7.193

0.085

0.2821

0.85

Mattergen

TbCe(SiNi)2

data_[Tb1Ce1Si2Ni2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0472] _cell_length_b [4....

7.058

0.011

0.2768

0.11

Mattergen

PrEu2Zn

data_[Pr1Eu2Zn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7344] _cell_length_b [3.7344] _cell_length_c [9.3453] _...

6.501

0.049

0.255

0.49

Mattergen

CsKTlPd

data_[Cs3K3Tl3Pd3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.8154] _cell_length_b [4.8154...

4.307

0.048

0.1689

0.48

Mattergen

Na3Zr(BiS3)2

data_[Na6Zr2Bi4S12] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.0079] _cell_length_b [12.2...

4.535

0.088

0.1779

0.88

Mattergen

Na2NiAgH6

data_[Na2Ni1Ag1H6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 Ag 1.9300 1.6000 1.0867 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0249] _cell_length_b [5.02...

3.275

0.097

0.1285

0.97

Mattergen

CuPPd

data_[Cu4P4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.6348] _cell_length_b [5.6348] _cell_length_c [5.6348] _cel...

7.46

0.094

0.2926

0.94

Mattergen

Nb5As4

data_[Nb10As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [9.9645] _cell_length_b [9.9645] _cell_length_c [3.4538] _cell_angle_alpha [90.0000] _cell_...

7.401

0.016

0.2903

0.16

Mattergen

CsNdPbBr6

data_[Cs4Nd4Pb4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [10.5688] _cell_length_b [1...

3.559

0.059

0.1396

0.59