Split (3)

train · 27.1k rows

Unnamed: 0.1 int64 0 27.1k	Unnamed: 0 int64 1 45.2k	material_id stringlengths 4 10	formation_energy_per_atom float64 -5.15 0.08	band_gap float64 0 17.9	pretty_formula stringlengths 1 18	e_above_hull float64 0 0.08	elements stringlengths 5 40	cif stringlengths 692 1.73k	spacegroup.number int64 1 229	spacegroup.number.conv int64 1 229	cif.conv stringlengths 696 5.07k
900	38,762	mp-1246966	-1.644921	0.8926	LuMgCrS4	0.049149	['Cr', 'Lu', 'Mg', 'S']	# generated using pymatgen data_LuMgCrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57649140 _cell_length_b 7.49395313 _cell_length_c 7.50535165 _cell_angle_alpha 59.40320375 _cell_angle_beta 59.68733972 _cell_angle_gamma 59.64636560 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	74	74	# generated using pymatgen data_LuMgCrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43190643 _cell_length_b 7.57649140 _cell_length_c 10.60021947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
901	31,077	mp-1114677	-2.837066	3.8167	Rb3SbF6	0.022537	['F', 'Rb', 'Sb']	# generated using pymatgen data_Rb3SbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89303954 _cell_length_b 6.89303954 _cell_length_c 6.89303954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Rb3SbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74823000 _cell_length_b 9.74823000 _cell_length_c 9.74823000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
902	15,700	mp-1224996	-3.11011	0	Gd8Sb3O8	0	['Gd', 'O', 'Sb']	# generated using pymatgen data_Gd8Sb3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80440770 _cell_length_b 7.08035748 _cell_length_c 14.94880691 _cell_angle_alpha 83.63189624 _cell_angle_beta 82.68941581 _cell_angle_gamma 105.58449856 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	5	5	# generated using pymatgen data_Gd8Sb3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.64010035 _cell_length_b 3.80440770 _cell_length_c 15.35074929 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.31263203 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
903	15,394	mp-637255	-0.307968	0	Ti2Sn3	0	['Ti', 'Sn']	# generated using pymatgen data_Ti2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.48788348 _cell_length_b 10.48788348 _cell_length_c 7.05846000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.80235218 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	64	64	# generated using pymatgen data_Ti2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99212000 _cell_length_b 20.10167400 _cell_length_c 7.05846000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
904	33,023	mp-1078713	-1.067068	0	Tb(SiIr)2	0.027636	['Ir', 'Si', 'Tb']	# generated using pymatgen data_Tb(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14021600 _cell_length_b 4.14021600 _cell_length_c 9.87206500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	129	129	# generated using pymatgen data_Tb(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14021600 _cell_length_b 4.14021600 _cell_length_c 9.87206500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
905	12,168	mp-1217070	-0.732572	0	Ti2RePt	0	['Pt', 'Re', 'Ti']	# generated using pymatgen data_Ti2RePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18390100 _cell_length_b 3.18390100 _cell_length_c 6.12926700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	123	123	# generated using pymatgen data_Ti2RePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18390100 _cell_length_b 3.18390100 _cell_length_c 6.12926700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
906	36,115	mp-1185211	0.038361	0	LaY3	0.038361	['La', 'Y']	# generated using pymatgen data_LaY3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28677742 _cell_length_b 6.28677742 _cell_length_c 6.28677742 _cell_angle_alpha 131.53312379 _cell_angle_beta 131.53312379 _cell_angle_gamma 70.96741419 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	139	139	# generated using pymatgen data_LaY3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16088200 _cell_length_b 5.16088200 _cell_length_c 10.23840199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
907	26,527	mp-1094587	-0.046449	0	LiMg2	0.010914	['Li', 'Mg']	# generated using pymatgen data_LiMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43752639 _cell_length_b 8.43752639 _cell_length_c 5.01420300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.47248281 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	38	38	# generated using pymatgen data_LiMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15158400 _cell_length_b 16.57814599 _cell_length_c 5.01420300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
908	1,216	mp-1219047	-0.08397	0	SmYCo17	0	['Co', 'Sm', 'Y']	# generated using pymatgen data_SmYCo17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28925896 _cell_length_b 6.28925896 _cell_length_c 6.28925835 _cell_angle_alpha 83.09786160 _cell_angle_beta 83.09786160 _cell_angle_gamma 83.09785594 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	160	160	# generated using pymatgen data_SmYCo17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34282003 _cell_length_b 8.34282003 _cell_length_c 12.13198428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
909	6,396	mp-753192	-1.868424	0.6568	Yb4Sb2O	0	['Yb', 'Sb', 'O']	# generated using pymatgen data_Yb4Sb2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73644336 _cell_length_b 8.73644336 _cell_length_c 8.73644336 _cell_angle_alpha 149.14576672 _cell_angle_beta 149.14576672 _cell_angle_gamma 44.19678906 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	139	139	# generated using pymatgen data_Yb4Sb2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64800400 _cell_length_b 4.64800400 _cell_length_c 16.18931400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
910	44,436	mp-768963	-2.804402	3.3492	SrLaCl5	0.074561	['Cl', 'La', 'Sr']	# generated using pymatgen data_SrLaCl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27053500 _cell_length_b 7.45478500 _cell_length_c 13.14124963 _cell_angle_alpha 85.71667651 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	11	11	# generated using pymatgen data_SrLaCl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45478500 _cell_length_b 4.27053500 _cell_length_c 13.14124963 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.28332349 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
911	26,812	mp-1520883	-3.03904	0.0193	SrSmEuSbO6	0.010994	['Eu', 'O', 'Sb', 'Sm', 'Sr']	# generated using pymatgen data_SrSmEuSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86793525 _cell_length_b 6.00897588 _cell_length_c 8.39480148 _cell_angle_alpha 90.09355652 _cell_angle_beta 89.62853927 _cell_angle_gamma 90.01676868 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	2	2	# generated using pymatgen data_SrSmEuSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86793525 _cell_length_b 6.00897588 _cell_length_c 8.39480148 _cell_angle_alpha 89.90644348 _cell_angle_beta 89.62853927 _cell_angle_gamma 89.98323132 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
912	5,251	mp-1549	-0.987788	0	TbPt3	0	['Tb', 'Pt']	# generated using pymatgen data_TbPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13179400 _cell_length_b 4.13179400 _cell_length_c 4.13179400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...	221	221	# generated using pymatgen data_TbPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13179400 _cell_length_b 4.13179400 _cell_length_c 4.13179400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
913	14,212	mp-1225663	-0.501803	0	DyGaCu	0	['Cu', 'Dy', 'Ga']	# generated using pymatgen data_DyGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37501700 _cell_length_b 5.46205977 _cell_length_c 5.70115717 _cell_angle_alpha 95.78141250 _cell_angle_beta 112.56277535 _cell_angle_gamma 66.39109773 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_DyGaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00977636 _cell_length_b 4.37501700 _cell_length_c 7.03350710 _cell_angle_alpha 90.00000000 _cell_angle_beta 131.66334281 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
914	15,396	mp-640444	-0.529998	0	Tb5NiPb3	0	['Ni', 'Pb', 'Tb']	# generated using pymatgen data_Tb5NiPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21050944 _cell_length_b 9.21050944 _cell_length_c 6.72054200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999601 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	193	193	# generated using pymatgen data_Tb5NiPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21050944 _cell_length_b 9.21050944 _cell_length_c 6.72054200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
915	8,662	mp-1207169	-0.514892	0	CaH3Pd	0	['Ca', 'H', 'Pd']	# generated using pymatgen data_CaH3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72707700 _cell_length_b 3.72707700 _cell_length_c 3.72707700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	221	221	# generated using pymatgen data_CaH3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72707700 _cell_length_b 3.72707700 _cell_length_c 3.72707700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
916	332	mp-862842	-0.54573	0	LiPm2Pt	0	['Li', 'Pm', 'Pt']	# generated using pymatgen data_LiPm2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11990140 _cell_length_b 5.11990140 _cell_length_c 5.11990140 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_LiPm2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24063400 _cell_length_b 7.24063400 _cell_length_c 7.24063400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
917	31,115	mp-1185174	-0.789883	0	LaEuAu2	0.022303	['Au', 'Eu', 'La']	# generated using pymatgen data_LaEuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34861085 _cell_length_b 5.34861085 _cell_length_c 5.34861085 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_LaEuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56407800 _cell_length_b 7.56407800 _cell_length_c 7.56407800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
918	36,149	mp-1206446	-3.513993	5.237	Rb3ErF6	0.038734	['Er', 'F', 'Rb']	# generated using pymatgen data_Rb3ErF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94467607 _cell_length_b 6.94467607 _cell_length_c 6.94467607 _cell_angle_alpha 93.12790088 _cell_angle_beta 118.21083860 _cell_angle_gamma 118.21083860 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	139	139	# generated using pymatgen data_Rb3ErF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13162800 _cell_length_b 7.13162800 _cell_length_c 9.54954800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
919	2,303	mp-23067	-1.55225	1.3268	K2PdCl6	0	['K', 'Pd', 'Cl']	# generated using pymatgen data_K2PdCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06316094 _cell_length_b 7.06316094 _cell_length_c 7.06316094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_K2PdCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98881799 _cell_length_b 9.98881799 _cell_length_c 9.98881799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
920	21,261	mp-1295957	-2.051823	1.1424	BaCoO3	0.001055	['Ba', 'Co', 'O']	# generated using pymatgen data_BaCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72648266 _cell_length_b 5.72263780 _cell_length_c 9.70762787 _cell_angle_alpha 89.80945837 _cell_angle_beta 89.71405459 _cell_angle_gamma 59.96179190 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_BaCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.91713754 _cell_length_b 5.72125486 _cell_length_c 4.85381393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.27506565 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
921	22,967	mp-8945	-3.552017	4.7737	YSnF7	0.003657	['F', 'Sn', 'Y']	# generated using pymatgen data_YSnF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78755400 _cell_length_b 6.04903100 _cell_length_c 8.27261444 _cell_angle_alpha 76.80907510 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...	4	4	# generated using pymatgen data_YSnF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04903100 _cell_length_b 5.78755400 _cell_length_c 8.27261444 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.19092490 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
922	6,923	mp-7632	-0.558124	0	NiMoP	0	['Ni', 'Mo', 'P']	# generated using pymatgen data_NiMoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85716416 _cell_length_b 5.85716416 _cell_length_c 3.74992300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000178 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_NiMoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85716416 _cell_length_b 5.85716416 _cell_length_c 3.74992300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
923	19,729	mp-1798	-0.028208	0	CeMg3	0	['Ce', 'Mg']	# generated using pymatgen data_CeMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22276564 _cell_length_b 5.22276564 _cell_length_c 5.22276564 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...	225	225	# generated using pymatgen data_CeMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38610600 _cell_length_b 7.38610600 _cell_length_c 7.38610600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
924	27,774	mp-1227296	-0.379314	0	BiSbPt2	0.012913	['Bi', 'Pt', 'Sb']	# generated using pymatgen data_BiSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31589054 _cell_length_b 4.31589054 _cell_length_c 5.60111000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000823 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	187	187	# generated using pymatgen data_BiSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31589054 _cell_length_b 4.31589054 _cell_length_c 5.60111000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
925	43,584	mp-1113343	-2.150024	2.1383	Rb2LaCuCl6	0.073231	['Cl', 'Cu', 'La', 'Rb']	# generated using pymatgen data_Rb2LaCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52618154 _cell_length_b 7.52618154 _cell_length_c 7.52618154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	225	225	# generated using pymatgen data_Rb2LaCuCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64362801 _cell_length_b 10.64362801 _cell_length_c 10.64362801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
926	28,489	mp-979044	-0.585353	0	Tm2CuAu	0.013914	['Tm', 'Cu', 'Au']	# generated using pymatgen data_Tm2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93191848 _cell_length_b 4.93191848 _cell_length_c 4.93191848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Tm2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97478600 _cell_length_b 6.97478600 _cell_length_c 6.97478600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
927	3,400	mp-571122	-0.353158	0.4522	FeI2	0	['Fe', 'I']	# generated using pymatgen data_FeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01087283 _cell_length_b 4.01087283 _cell_length_c 7.29005400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001367 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...	164	164	# generated using pymatgen data_FeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01087283 _cell_length_b 4.01087283 _cell_length_c 7.29005400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...
928	18,125	mp-1187939	-0.486264	0	ZnSnRh2	0	['Rh', 'Sn', 'Zn']	# generated using pymatgen data_ZnSnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44286787 _cell_length_b 4.44286787 _cell_length_c 4.44286787 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_ZnSnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28316400 _cell_length_b 6.28316400 _cell_length_c 6.28316400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
929	27,340	mp-31411	-0.203342	0	Th(Al2Cr)4	0.011654	['Th', 'Al', 'Cr']	# generated using pymatgen data_Th(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85313279 _cell_length_b 6.85313279 _cell_length_c 6.85313279 _cell_angle_alpha 97.72608549 _cell_angle_beta 97.72608549 _cell_angle_gamma 136.98081605 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Th(Al2Cr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01682000 _cell_length_b 9.01682000 _cell_length_c 5.02549800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
930	5,611	mp-1183791	-0.338333	0	DyLuAg2	0	['Ag', 'Dy', 'Lu']	# generated using pymatgen data_DyLuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10344420 _cell_length_b 5.10344420 _cell_length_c 5.10344420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_DyLuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21736000 _cell_length_b 7.21736000 _cell_length_c 7.21736000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
931	7,011	mp-1025372	-0.303009	0	Y2Cr2C3	0	['Y', 'Cr', 'C']	# generated using pymatgen data_Y2Cr2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49667730 _cell_length_b 5.49667730 _cell_length_c 5.58001429 _cell_angle_alpha 75.01528876 _cell_angle_beta 75.01528876 _cell_angle_gamma 35.85268923 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Y2Cr2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.45966000 _cell_length_b 3.38369000 _cell_length_c 5.58001429 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.76867526 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
932	28,019	mp-1028663	-0.998704	0.7894	WSeS	0.014388	['S', 'Se', 'W']	# generated using pymatgen data_WSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25432378 _cell_length_b 3.25432378 _cell_length_c 36.89402600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999549 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	164	164	# generated using pymatgen data_WSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25432378 _cell_length_b 3.25432378 _cell_length_c 36.89402600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
933	25,346	mp-32686	-1.072464	0	CoO2	0.008335	['Co', 'O']	# generated using pymatgen data_CoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81745300 _cell_length_b 4.94106581 _cell_length_c 4.83089991 _cell_angle_alpha 90.12399428 _cell_angle_beta 89.99976023 _cell_angle_gamma 89.99846204 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co...	164	164	# generated using pymatgen data_CoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84394852 _cell_length_b 2.84394852 _cell_length_c 4.83089991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
934	42,530	mp-1094090	0.019014	0	Ni4N	0.066688	['N', 'Ni']	# generated using pymatgen data_Ni4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71513900 _cell_length_b 3.71513900 _cell_length_c 3.71513900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...	221	221	# generated using pymatgen data_Ni4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71513900 _cell_length_b 3.71513900 _cell_length_c 3.71513900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...
935	8,837	mp-30491	-0.069797	0	MgCd3	0	['Mg', 'Cd']	# generated using pymatgen data_MgCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35733286 _cell_length_b 6.35733286 _cell_length_c 5.04217200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000890 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_MgCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35733286 _cell_length_b 6.35733286 _cell_length_c 5.04217200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
936	19,179	mp-1215629	-0.897588	1.6198	Zn3PBr3	0	['Br', 'P', 'Zn']	# generated using pymatgen data_Zn3PBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06378200 _cell_length_b 6.70679700 _cell_length_c 7.07275924 _cell_angle_alpha 88.95061438 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	6	6	# generated using pymatgen data_Zn3PBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70679700 _cell_length_b 4.06378200 _cell_length_c 7.07275924 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.04938562 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
937	44,922	mp-756029	-2.259993	1.9501	Zr2N2O	0.078469	['N', 'O', 'Zr']	# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52936100 _cell_length_b 5.57643377 _cell_length_c 10.32857239 _cell_angle_alpha 75.46685797 _cell_angle_beta 74.92567409 _cell_angle_gamma 60.66498797 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52936100 _cell_length_b 5.57643377 _cell_length_c 10.32857239 _cell_angle_alpha 75.46685797 _cell_angle_beta 74.92567409 _cell_angle_gamma 60.66498797 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
938	43,317	mp-554775	-2.072769	0	CaCuO2	0.069715	['Ca', 'Cu', 'O']	# generated using pymatgen data_CaCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20286300 _cell_length_b 5.46027100 _cell_length_c 11.13506600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	18	18	# generated using pymatgen data_CaCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20286300 _cell_length_b 5.46027100 _cell_length_c 11.13506600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
939	31,952	mp-867213	-0.60536	0	Er2OsPd	0.022984	['Er', 'Os', 'Pd']	# generated using pymatgen data_Er2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83833714 _cell_length_b 4.83833714 _cell_length_c 4.83833714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Er2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84244200 _cell_length_b 6.84244200 _cell_length_c 6.84244200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
940	39,544	mp-1094580	-0.007028	0	LiMg	0.052958	['Li', 'Mg']	# generated using pymatgen data_LiMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16456999 _cell_length_b 3.16456999 _cell_length_c 15.02943000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999978 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	187	187	# generated using pymatgen data_LiMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16456999 _cell_length_b 3.16456999 _cell_length_c 15.02943000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
941	12,148	mp-1208946	-2.222434	0	Sr2FeIrO6	0	['Fe', 'Ir', 'O', 'Sr']	# generated using pymatgen data_Sr2FeIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61332800 _cell_length_b 5.61376026 _cell_length_c 5.61924563 _cell_angle_alpha 60.43173026 _cell_angle_beta 60.12053478 _cell_angle_gamma 60.24995874 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	2	2	# generated using pymatgen data_Sr2FeIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61332800 _cell_length_b 5.61376026 _cell_length_c 5.61924563 _cell_angle_alpha 60.43173026 _cell_angle_beta 60.12053478 _cell_angle_gamma 60.24995874 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
942	4,573	mp-1104873	-0.429026	0	Tm(Al2Fe)4	0	['Al', 'Fe', 'Tm']	# generated using pymatgen data_Tm(Al2Fe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02886400 _cell_length_b 6.62755142 _cell_length_c 6.62755142 _cell_angle_alpha 81.72425021 _cell_angle_beta 67.70404780 _cell_angle_gamma 67.70404780 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	139	139	# generated using pymatgen data_Tm(Al2Fe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67203200 _cell_length_b 8.67203200 _cell_length_c 5.02886400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
943	2,337	mp-3284	-0.963023	0	CeSi2Pt	0	['Ce', 'Pt', 'Si']	# generated using pymatgen data_CeSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59967238 _cell_length_b 8.59967238 _cell_length_c 4.24702100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.25503350 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_CeSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26930200 _cell_length_b 16.66104800 _cell_length_c 4.24702100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
944	25,965	mp-864959	-0.264381	0	Dy2CuOs	0.008888	['Dy', 'Cu', 'Os']	# generated using pymatgen data_Dy2CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85264049 _cell_length_b 4.85264049 _cell_length_c 4.85264049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Dy2CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86266999 _cell_length_b 6.86266999 _cell_length_c 6.86266999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
945	24,391	mp-558610	-2.519611	0	Sc(ReO3)2	0.006406	['O', 'Re', 'Sc']	# generated using pymatgen data_Sc(ReO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86713800 _cell_length_b 5.66547300 _cell_length_c 7.57549283 _cell_angle_alpha 82.19542226 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	14	14	# generated using pymatgen data_Sc(ReO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66547300 _cell_length_b 4.86713800 _cell_length_c 7.57549283 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.80457774 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
946	17,973	mp-8896	-0.554651	0	Sr2B4Rh5	0	['Sr', 'B', 'Rh']	# generated using pymatgen data_Sr2B4Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60485498 _cell_length_b 6.31883118 _cell_length_c 5.79067902 _cell_angle_alpha 77.67109411 _cell_angle_beta 54.26552511 _cell_angle_gamma 48.06338078 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	69	69	# generated using pymatgen data_Sr2B4Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59030800 _cell_length_b 10.14279599 _cell_length_c 11.33397399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
947	25,525	mp-1078049	-1.010361	1.9339	Zn(GaS2)2	0.009071	['Ga', 'S', 'Zn']	# generated using pymatgen data_Zn(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24256500 _cell_length_b 5.24256500 _cell_length_c 5.45554500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	111	111	# generated using pymatgen data_Zn(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24256500 _cell_length_b 5.24256500 _cell_length_c 5.45554500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
948	9,305	mp-30392	-0.476926	0	Li2InAu	0	['Li', 'In', 'Au']	# generated using pymatgen data_Li2InAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63189731 _cell_length_b 4.63189731 _cell_length_c 4.63189731 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	216	216	# generated using pymatgen data_Li2InAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55049200 _cell_length_b 6.55049200 _cell_length_c 6.55049200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
949	18,302	mp-27487	-1.207741	2.2803	Li2ThN2	0	['Li', 'N', 'Th']	# generated using pymatgen data_Li2ThN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69915457 _cell_length_b 3.69915457 _cell_length_c 5.54453800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001028 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	164	164	# generated using pymatgen data_Li2ThN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69915457 _cell_length_b 3.69915457 _cell_length_c 5.54453800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
950	38,039	mp-1101381	-2.296867	1.4817	SbOF3	0.046806	['F', 'O', 'Sb']	# generated using pymatgen data_SbOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31880916 _cell_length_b 5.31880916 _cell_length_c 5.31880916 _cell_angle_alpha 138.06621856 _cell_angle_beta 134.22002000 _cell_angle_gamma 63.81102294 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	71	71	# generated using pymatgen data_SbOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80644200 _cell_length_b 4.13764000 _cell_length_c 9.03049600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
951	4,811	mp-27180	-2.357687	2.8933	NdSBr	0	['Br', 'Nd', 'S']	# generated using pymatgen data_NdSBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10602400 _cell_length_b 7.00377900 _cell_length_c 7.10286370 _cell_angle_alpha 79.87955605 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	14	14	# generated using pymatgen data_NdSBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00377900 _cell_length_b 7.10602400 _cell_length_c 7.10286370 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.12044395 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
952	12,295	mp-2955	-3.499918	6.7539	NaMgF3	0	['Na', 'Mg', 'F']	# generated using pymatgen data_NaMgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42465700 _cell_length_b 5.57373300 _cell_length_c 7.76809700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	62	62	# generated using pymatgen data_NaMgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42465700 _cell_length_b 5.57373300 _cell_length_c 7.76809700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
953	44,665	mp-1185667	0.00118	0	Na3Ge	0.078521	['Ge', 'Na']	# generated using pymatgen data_Na3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25088303 _cell_length_b 5.25088303 _cell_length_c 5.25088303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	225	225	# generated using pymatgen data_Na3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42587000 _cell_length_b 7.42587000 _cell_length_c 7.42587000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
954	22,979	mp-975780	-0.282669	0	Li2TlSn	0.004117	['Li', 'Sn', 'Tl']	# generated using pymatgen data_Li2TlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90478113 _cell_length_b 4.90478113 _cell_length_c 4.90478113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Li2TlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93640799 _cell_length_b 6.93640799 _cell_length_c 6.93640799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
955	13,670	mp-1217009	-0.387831	0	TiAl2Zn	0	['Al', 'Ti', 'Zn']	# generated using pymatgen data_TiAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97374600 _cell_length_b 3.97374600 _cell_length_c 3.88774800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	123	123	# generated using pymatgen data_TiAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97374600 _cell_length_b 3.97374600 _cell_length_c 3.88774800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
956	16,132	mp-1205816	-0.687824	0	Tb2MgSi2	0	['Mg', 'Si', 'Tb']	# generated using pymatgen data_Tb2MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20560900 _cell_length_b 7.20560900 _cell_length_c 4.23385900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	127	127	# generated using pymatgen data_Tb2MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20560900 _cell_length_b 7.20560900 _cell_length_c 4.23385900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
957	9,750	mp-18733	-2.203945	3.8711	AlTl(MoO4)2	0	['Al', 'Mo', 'O', 'Tl']	# generated using pymatgen data_AlTl(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64307002 _cell_length_b 5.64307002 _cell_length_c 7.64753400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000025 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	164	164	# generated using pymatgen data_AlTl(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64307002 _cell_length_b 5.64307002 _cell_length_c 7.64753400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
958	26,010	mp-1025321	-1.760999	0	Rb2Cr(BrCl)2	0.010153	['Rb', 'Cr', 'Br', 'Cl']	# generated using pymatgen data_Rb2Cr(BrCl)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30368473 _cell_length_b 9.30368473 _cell_length_c 9.30368473 _cell_angle_alpha 148.30097122 _cell_angle_beta 148.30097122 _cell_angle_gamma 45.44126738 _symmetry_Int_Tables_number 1 _chemical_formula_struc...	139	139	# generated using pymatgen data_Rb2Cr(BrCl)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08189000 _cell_length_b 5.08189000 _cell_length_c 17.16342000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
959	21,796	mp-16237	-0.439476	0	La(SiAg)2	0.001765	['Ag', 'La', 'Si']	# generated using pymatgen data_La(SiAg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16969739 _cell_length_b 6.16969739 _cell_length_c 6.16969739 _cell_angle_alpha 139.00592022 _cell_angle_beta 139.00592022 _cell_angle_gamma 59.36582492 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_La(SiAg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32075000 _cell_length_b 4.32075000 _cell_length_c 10.72021000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
960	31,083	mp-11711	-3.153361	2.7679	Gd(BO2)3	0.022015	['B', 'Gd', 'O']	# generated using pymatgen data_Gd(BO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38318034 _cell_length_b 6.38318034 _cell_length_c 6.31488571 _cell_angle_alpha 62.52406210 _cell_angle_beta 62.52406210 _cell_angle_gamma 79.33556629 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	15	15	# generated using pymatgen data_Gd(BO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82701600 _cell_length_b 8.14921600 _cell_length_c 6.31488571 _cell_angle_alpha 90.00000000 _cell_angle_beta 126.82533405 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
961	18,770	mp-2529	-0.630777	0	PrRh2	0	['Pr', 'Rh']	# generated using pymatgen data_PrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44859150 _cell_length_b 5.44859150 _cell_length_c 5.44859150 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...	227	227	# generated using pymatgen data_PrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70547200 _cell_length_b 7.70547200 _cell_length_c 7.70547200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
962	23,435	mp-769466	-3.037498	3.9088	Y2Ge2O7	0.004965	['Ge', 'O', 'Y']	# generated using pymatgen data_Y2Ge2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81447198 _cell_length_b 5.81447198 _cell_length_c 5.01658841 _cell_angle_alpha 82.60368337 _cell_angle_beta 82.60368337 _cell_angle_gamma 105.26249873 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Y2Ge2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05810000 _cell_length_b 9.24205400 _cell_length_c 5.01658841 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.24538293 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
963	686	mp-9208	-0.798246	0	V2B3	0	['V', 'B']	# generated using pymatgen data_V2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32356644 _cell_length_b 9.32356644 _cell_length_c 2.97819200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.24964833 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...	63	63	# generated using pymatgen data_V2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03759000 _cell_length_b 18.39806000 _cell_length_c 2.97819200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
964	27,553	mp-1104810	-1.445885	2.7824	Sr(GaS2)2	0.013419	['Ga', 'S', 'Sr']	# generated using pymatgen data_Sr(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07905751 _cell_length_b 6.07905751 _cell_length_c 10.67913200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.25295467 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	66	66	# generated using pymatgen data_Sr(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05580000 _cell_length_b 10.54263000 _cell_length_c 10.67913200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
965	11,950	mp-865094	-0.441974	0	HfNbTc2	0	['Hf', 'Nb', 'Tc']	# generated using pymatgen data_HfNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56632730 _cell_length_b 4.56632730 _cell_length_c 4.56632730 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_HfNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45776200 _cell_length_b 6.45776200 _cell_length_c 6.45776200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
966	6,682	mp-1212803	-1.317669	0.3404	DyTeAs	0	['As', 'Dy', 'Te']	# generated using pymatgen data_DyTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07224400 _cell_length_b 7.54767700 _cell_length_c 9.95086500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	62	62	# generated using pymatgen data_DyTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07224400 _cell_length_b 7.54767700 _cell_length_c 9.95086500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
967	4,302	mp-27563	-1.896633	1.4751	Rb2In4O7	0	['In', 'O', 'Rb']	# generated using pymatgen data_Rb2In4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73780175 _cell_length_b 5.73780175 _cell_length_c 7.46154800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999707 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	162	162	# generated using pymatgen data_Rb2In4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73780175 _cell_length_b 5.73780175 _cell_length_c 7.46154800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
968	16,310	mp-3363	-0.612204	0	Sc2Ni2Sn	0	['Sc', 'Ni', 'Sn']	# generated using pymatgen data_Sc2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14663900 _cell_length_b 7.14663900 _cell_length_c 3.35358000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	127	127	# generated using pymatgen data_Sc2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14663900 _cell_length_b 7.14663900 _cell_length_c 3.35358000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
969	21,501	mp-1009490	0.001718	1.6301	O2	0.001718	['O']	# generated using pymatgen data_O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34266605 _cell_length_b 3.34266605 _cell_length_c 4.62597847 _cell_angle_alpha 72.14490973 _cell_angle_beta 72.14490973 _cell_angle_gamma 90.06067440 _symmetry_Int_Tables_number 1 _chemical_formula_structural O2 _...	12	12	# generated using pymatgen data_O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72474000 _cell_length_b 4.72974600 _cell_length_c 4.62597847 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.71167606 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural O2 ...
970	30,508	mp-1025268	-0.138248	0	Pu2W2C3	0.021208	['C', 'Pu', 'W']	# generated using pymatgen data_Pu2W2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21271261 _cell_length_b 6.21271261 _cell_length_c 5.69786510 _cell_angle_alpha 67.49926142 _cell_angle_beta 67.49926142 _cell_angle_gamma 30.65489598 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Pu2W2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.98346399 _cell_length_b 3.28447600 _cell_length_c 5.69786510 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.37887580 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
971	13,228	mp-14152	-3.537961	3.6614	SmNbO4	0	['Nb', 'O', 'Sm']	# generated using pymatgen data_SmNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74908716 _cell_length_b 6.74908716 _cell_length_c 5.21643713 _cell_angle_alpha 68.81588520 _cell_angle_beta 68.81588520 _cell_angle_gamma 114.54383988 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	15	15	# generated using pymatgen data_SmNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29782400 _cell_length_b 11.35528400 _cell_length_c 5.21643713 _cell_angle_alpha 90.00000000 _cell_angle_beta 131.94281602 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
972	43,749	mp-1247036	-1.502796	0	Mg2Ti3CrS8	0.072405	['Cr', 'Mg', 'S', 'Ti']	# generated using pymatgen data_Mg2Ti3CrS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24693644 _cell_length_b 7.38734242 _cell_length_c 7.24548148 _cell_angle_alpha 60.53793553 _cell_angle_beta 59.96970400 _cell_angle_gamma 60.55355901 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	166	166	# generated using pymatgen data_Mg2Ti3CrS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24418604 _cell_length_b 7.24418604 _cell_length_c 18.24440011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
973	25,475	mp-975639	0.008081	0	Pr3Er	0.008081	['Pr', 'Er']	# generated using pymatgen data_Pr3Er _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17923100 _cell_length_b 5.17923100 _cell_length_c 5.17923100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...	221	221	# generated using pymatgen data_Pr3Er _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17923100 _cell_length_b 5.17923100 _cell_length_c 5.17923100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
974	24,337	mp-22895	-0.336335	1.1763	CuI	0.006738	['Cu', 'I']	# generated using pymatgen data_CuI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26770904 _cell_length_b 4.26770904 _cell_length_c 4.26770904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuI...	216	216	# generated using pymatgen data_CuI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03545200 _cell_length_b 6.03545200 _cell_length_c 6.03545200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuI...
975	26,799	mp-1276532	-2.230822	0	VReO4	0.011565	['O', 'Re', 'V']	# generated using pymatgen data_VReO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79407677 _cell_length_b 5.55716173 _cell_length_c 5.55711820 _cell_angle_alpha 61.95514755 _cell_angle_beta 91.26544827 _cell_angle_gamma 91.26849230 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...	12	12	# generated using pymatgen data_VReO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52903714 _cell_length_b 5.72054800 _cell_length_c 4.79407677 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.47778584 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
976	26,881	mp-557151	-1.051541	2.0324	ZnS	0.01159	['S', 'Zn']	# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 25.25338402 _cell_length_b 25.25338402 _cell_length_c 25.25338355 _cell_angle_alpha 8.75481661 _cell_angle_beta 8.75481661 _cell_angle_gamma 8.75481716 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnS...	160	160	# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85497386 _cell_length_b 3.85497386 _cell_length_c 75.46534370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
977	32,751	mp-1225338	-0.810538	0	Dy4Cu5P7	0.026602	['Cu', 'Dy', 'P']	# generated using pymatgen data_Dy4Cu5P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32738540 _cell_length_b 10.32738540 _cell_length_c 10.32738540 _cell_angle_alpha 150.39779407 _cell_angle_beta 150.39779407 _cell_angle_gamma 42.35779661 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	121	121	# generated using pymatgen data_Dy4Cu5P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27655800 _cell_length_b 5.27655800 _cell_length_c 19.25968401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
978	15,126	mp-1205622	-0.675031	0	YPRu2C	0	['C', 'P', 'Ru', 'Y']	# generated using pymatgen data_YPRu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85338890 _cell_length_b 5.85338890 _cell_length_c 7.07003900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.14645609 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_YPRu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79720400 _cell_length_b 11.07383801 _cell_length_c 7.07003900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
979	27,266	mp-1226863	-2.74684	4.4927	CaBHO3	0.01236	['B', 'Ca', 'H', 'O']	# generated using pymatgen data_CaBHO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58168032 _cell_length_b 5.45811900 _cell_length_c 6.87614349 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.31318898 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	4	4	# generated using pymatgen data_CaBHO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58168032 _cell_length_b 5.45811900 _cell_length_c 6.87614349 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.31318898 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
980	12,026	mp-10714	-0.540408	0	TmRh3C	0	['Tm', 'Rh', 'C']	# generated using pymatgen data_TmRh3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16232600 _cell_length_b 4.16232600 _cell_length_c 4.16232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	221	221	# generated using pymatgen data_TmRh3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16232600 _cell_length_b 4.16232600 _cell_length_c 4.16232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
981	16,265	mp-23219	-0.663818	0	CuBr2	0	['Cu', 'Br']	# generated using pymatgen data_CuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22377869 _cell_length_b 4.22377869 _cell_length_c 7.06066572 _cell_angle_alpha 64.08512044 _cell_angle_beta 64.08512044 _cell_angle_gamma 48.84222662 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...	12	12	# generated using pymatgen data_CuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69176601 _cell_length_b 3.49255800 _cell_length_c 7.06066572 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.68399098 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
982	17,700	mp-1220323	-0.129539	0	NbTc	0	['Nb', 'Tc']	# generated using pymatgen data_NbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81692898 _cell_length_b 2.81692898 _cell_length_c 4.41925500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.83728334 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	65	65	# generated using pymatgen data_NbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19764201 _cell_length_b 4.63847401 _cell_length_c 4.41925500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb...
983	35,282	mp-1246164	-0.556869	0	Ba3CoN3	0.035479	['Ba', 'Co', 'N']	# generated using pymatgen data_Ba3CoN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10691053 _cell_length_b 8.11015324 _cell_length_c 5.63252700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.02822004 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	176	176	# generated using pymatgen data_Ba3CoN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10853189 _cell_length_b 8.10853189 _cell_length_c 5.63252700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
984	30,637	mp-1188342	-0.477823	0	Tb5Ga3	0.021197	['Ga', 'Tb']	# generated using pymatgen data_Tb5Ga3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92827383 _cell_length_b 8.92827383 _cell_length_c 8.92827383 _cell_angle_alpha 128.90580247 _cell_angle_beta 128.90580247 _cell_angle_gamma 75.16218882 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	140	140	# generated using pymatgen data_Tb5Ga3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70068800 _cell_length_b 7.70068800 _cell_length_c 14.15115200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
985	13,425	mp-8253	-2.061882	2.2944	Na5ReO6	0	['Na', 'Re', 'O']	# generated using pymatgen data_Na5ReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69904129 _cell_length_b 5.69904129 _cell_length_c 5.67180615 _cell_angle_alpha 79.64694781 _cell_angle_beta 79.64694781 _cell_angle_gamma 119.41000821 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Na5ReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74978800 _cell_length_b 9.84155600 _cell_length_c 5.67180615 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.87032275 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
986	25,104	mp-1185386	-0.296902	0	LiGdTl2	0.008104	['Gd', 'Li', 'Tl']	# generated using pymatgen data_LiGdTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20256360 _cell_length_b 5.20256360 _cell_length_c 5.20256360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_LiGdTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35753600 _cell_length_b 7.35753600 _cell_length_c 7.35753600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
987	24,678	mp-1216392	-2.443056	1.6545	VCrO3	0.007511	['Cr', 'O', 'V']	# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09395200 _cell_length_b 5.51963563 _cell_length_c 5.09395810 _cell_angle_alpha 62.51947832 _cell_angle_beta 120.00009278 _cell_angle_gamma 90.00018649 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	161	161	# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09394995 _cell_length_b 5.09394995 _cell_length_c 14.01249800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
988	22,667	mp-1218438	-2.693019	0	Sr3Nd(FeO4)2	0.003998	['Fe', 'Nd', 'O', 'Sr']	# generated using pymatgen data_Sr3Nd(FeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91649566 _cell_length_b 6.91649566 _cell_length_c 5.49320200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.33522757 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	38	38	# generated using pymatgen data_Sr3Nd(FeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47875800 _cell_length_b 12.70176600 _cell_length_c 5.49320200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
989	26,875	mp-555251	-3.256429	5.8136	SiO2	0.01075	['O', 'Si']	# generated using pymatgen data_SiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05919617 _cell_length_b 7.05919617 _cell_length_c 7.05919617 _cell_angle_alpha 137.76727125 _cell_angle_beta 107.90760162 _cell_angle_gamma 87.25427287 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	46	46	# generated using pymatgen data_SiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08633800 _cell_length_b 8.30779000 _cell_length_c 10.21953000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
990	9,215	mp-1514	-0.584165	0	UB2	0	['U', 'B']	# generated using pymatgen data_UB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08247641 _cell_length_b 3.08247641 _cell_length_c 4.01858000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000887 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...	191	191	# generated using pymatgen data_UB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08247641 _cell_length_b 3.08247641 _cell_length_c 4.01858000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UB...
991	14,674	mp-1218017	-1.358613	0	Ta5S8	0	['S', 'Ta']	# generated using pymatgen data_Ta5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.17639928 _cell_length_b 13.17639928 _cell_length_c 5.79293189 _cell_angle_alpha 78.54724599 _cell_angle_beta 78.54724599 _cell_angle_gamma 14.25637651 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Ta5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 26.14911801 _cell_length_b 3.27011000 _cell_length_c 5.79293189 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.54318364 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
992	24,261	mp-1225662	-0.563132	0	Er4SiNi3	0.006356	['Er', 'Ni', 'Si']	# generated using pymatgen data_Er4SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87940200 _cell_length_b 4.01670600 _cell_length_c 10.30004500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	25	25	# generated using pymatgen data_Er4SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87940200 _cell_length_b 4.01670600 _cell_length_c 10.30004500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
993	2,758	mp-20973	-2.328465	0	Ce2S3	0	['Ce', 'S']	# generated using pymatgen data_Ce2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03947200 _cell_length_b 7.45547400 _cell_length_c 15.45685900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	62	62	# generated using pymatgen data_Ce2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03947200 _cell_length_b 7.45547400 _cell_length_c 15.45685900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
994	25,337	mp-28760	-1.18379	2.2219	KRbS	0.008082	['K', 'Rb', 'S']	# generated using pymatgen data_KRbS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05139400 _cell_length_b 8.35496900 _cell_length_c 9.55670700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KR...	62	62	# generated using pymatgen data_KRbS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05139400 _cell_length_b 8.35496900 _cell_length_c 9.55670700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KR...
995	14,457	mp-867358	-2.168377	0	PuCl2	0	['Cl', 'Pu']	# generated using pymatgen data_PuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83692800 _cell_length_b 6.83692800 _cell_length_c 4.06057200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...	136	136	# generated using pymatgen data_PuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83692800 _cell_length_b 6.83692800 _cell_length_c 4.06057200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
996	24,600	mp-1186695	-0.426803	0	Pr2TlHg	0.007318	['Hg', 'Pr', 'Tl']	# generated using pymatgen data_Pr2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53400576 _cell_length_b 5.53400576 _cell_length_c 5.53400576 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	225	225	# generated using pymatgen data_Pr2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82626600 _cell_length_b 7.82626600 _cell_length_c 7.82626600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
997	5,783	mp-23910	-1.986629	3.0588	CrHO2	0	['Cr', 'H', 'O']	# generated using pymatgen data_CrHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05834786 _cell_length_b 3.05817740 _cell_length_c 18.08125484 _cell_angle_alpha 94.99288600 _cell_angle_beta 85.00067411 _cell_angle_gamma 120.00298051 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	160	160	# generated using pymatgen data_CrHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05823636 _cell_length_b 3.05823636 _cell_length_c 13.49225940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
998	20,220	mp-18773	-2.18486	1.3385	WO3	0.000088	['W', 'O']	# generated using pymatgen data_WO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40736100 _cell_length_b 5.40736100 _cell_length_c 7.81784500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural WO3...	130	130	# generated using pymatgen data_WO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40736100 _cell_length_b 5.40736100 _cell_length_c 7.81784500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural WO3...
999	31,396	mp-636978	-1.441143	0.2416	KCuCl3	0.021944	['Cl', 'Cu', 'K']	# generated using pymatgen data_KCuCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.37214100 _cell_length_b 4.75782200 _cell_length_c 9.83098369 _cell_angle_alpha 89.24271194 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	14	14	# generated using pymatgen data_KCuCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75782200 _cell_length_b 14.37214100 _cell_length_c 9.83098369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.75728806 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

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