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
400	14,076	mp-1104019	-0.924687	0	Y3Pd4	0	['Pd', 'Y']	# generated using pymatgen data_Y3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90897673 _cell_length_b 7.90897673 _cell_length_c 7.90897604 _cell_angle_alpha 114.26203599 _cell_angle_beta 114.26203599 _cell_angle_gamma 114.26204452 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	148	148	# generated using pymatgen data_Y3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.28571739 _cell_length_b 13.28571739 _cell_length_c 5.78241643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
401	39,054	mp-1102432	-1.030764	0.1142	Cu3AsO7	0.050753	['As', 'Cu', 'O']	# generated using pymatgen data_Cu3AsO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25820400 _cell_length_b 5.37811694 _cell_length_c 5.64943100 _cell_angle_alpha 89.83851115 _cell_angle_beta 66.42014394 _cell_angle_gamma 89.70780513 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_Cu3AsO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25820400 _cell_length_b 5.37811694 _cell_length_c 5.64943100 _cell_angle_alpha 89.83851115 _cell_angle_beta 66.42014394 _cell_angle_gamma 89.70780513 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
402	44,649	mp-1174024	-1.776199	0.7246	Li4MnCo3O8	0.077854	['Co', 'Li', 'Mn', 'O']	# generated using pymatgen data_Li4MnCo3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92628800 _cell_length_b 5.02865800 _cell_length_c 5.14277908 _cell_angle_alpha 71.18044221 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	10	10	# generated using pymatgen data_Li4MnCo3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02865800 _cell_length_b 5.92628800 _cell_length_c 5.14277908 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.81955779 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
403	24,122	mp-1184409	-0.219283	0	Gd2MgCd	0.006368	['Cd', 'Gd', 'Mg']	# generated using pymatgen data_Gd2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33247750 _cell_length_b 5.33247750 _cell_length_c 5.33247750 _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_Gd2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54126200 _cell_length_b 7.54126200 _cell_length_c 7.54126200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
404	24,106	mp-1183484	0.0064	0	Ca	0.0064	['Ca']	# generated using pymatgen data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88558224 _cell_length_b 3.88558224 _cell_length_c 12.82062100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000412 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...	194	194	# generated using pymatgen data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88558224 _cell_length_b 3.88558224 _cell_length_c 12.82062100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
405	8,308	mp-30714	-0.223259	0	Tm2Zn17	0	['Tm', 'Zn']	# generated using pymatgen data_Tm2Zn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77890033 _cell_length_b 6.77890033 _cell_length_c 6.77889997 _cell_angle_alpha 82.45923000 _cell_angle_beta 82.45923000 _cell_angle_gamma 82.45923072 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	166	166	# generated using pymatgen data_Tm2Zn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93565185 _cell_length_b 8.93565185 _cell_length_c 13.19256508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
406	16,637	mp-1205711	-0.690376	0	La2Ru2I	0	['I', 'La', 'Ru']	# generated using pymatgen data_La2Ru2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35010127 _cell_length_b 4.35010127 _cell_length_c 17.77415200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998892 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	194	194	# generated using pymatgen data_La2Ru2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35010127 _cell_length_b 4.35010127 _cell_length_c 17.77415200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
407	9,173	mp-1222353	-1.771844	0.0435	LiMnRhO4	0	['Li', 'Mn', 'O', 'Rh']	# generated using pymatgen data_LiMnRhO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97515358 _cell_length_b 5.97515358 _cell_length_c 5.97515358 _cell_angle_alpha 120.99458813 _cell_angle_beta 118.41859204 _cell_angle_gamma 90.52330497 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	74	74	# generated using pymatgen data_LiMnRhO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88510400 _cell_length_b 6.11740400 _cell_length_c 8.41146600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
408	13,397	mp-639863	-0.807328	0	CeGaPd2	0	['Ce', 'Ga', 'Pd']	# generated using pymatgen data_CeGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75923200 _cell_length_b 7.09335000 _cell_length_c 7.65134100 _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_CeGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75923200 _cell_length_b 7.09335000 _cell_length_c 7.65134100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
409	12,034	mp-1078586	-0.321671	0	UGaCo	0	['Co', 'Ga', 'U']	# generated using pymatgen data_UGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96341500 _cell_length_b 6.62326684 _cell_length_c 6.60834318 _cell_angle_alpha 120.07472791 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_UGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60834340 _cell_length_b 6.60834340 _cell_length_c 3.96341500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
410	29,682	mp-1212203	-0.777738	0	Ho5SbPd2	0.018563	['Ho', 'Pd', 'Sb']	# generated using pymatgen data_Ho5SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73311131 _cell_length_b 8.73311131 _cell_length_c 8.73311131 _cell_angle_alpha 127.47576165 _cell_angle_beta 127.47576165 _cell_angle_gamma 77.47582595 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	140	140	# generated using pymatgen data_Ho5SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72842600 _cell_length_b 7.72842600 _cell_length_c 13.62394200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
411	39,722	mp-1223437	-0.476077	0	La2Ga7Co	0.053427	['Co', 'Ga', 'La']	# generated using pymatgen data_La2Ga7Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29021700 _cell_length_b 4.29021700 _cell_length_c 10.67022700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	115	115	# generated using pymatgen data_La2Ga7Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29021700 _cell_length_b 4.29021700 _cell_length_c 10.67022700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
412	43,373	mp-755127	-1.074027	0	Ag2GeO4	0.070505	['Ag', 'Ge', 'O']	# generated using pymatgen data_Ag2GeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98276261 _cell_length_b 6.74304438 _cell_length_c 6.02551270 _cell_angle_alpha 77.16544401 _cell_angle_beta 55.44642748 _cell_angle_gamma 47.38812851 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	70	70	# generated using pymatgen data_Ag2GeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00848600 _cell_length_b 10.44630600 _cell_length_c 12.07363600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
413	25,869	mp-29882	-1.48328	1.6597	CsPdCl3	0.009718	['Cl', 'Cs', 'Pd']	# generated using pymatgen data_CsPdCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94113911 _cell_length_b 9.94113911 _cell_length_c 9.94113911 _cell_angle_alpha 124.74724088 _cell_angle_beta 115.07152322 _cell_angle_gamma 90.36059420 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	72	72	# generated using pymatgen data_CsPdCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21949200 _cell_length_b 10.67227200 _cell_length_c 14.01458400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
414	19,634	mp-1206125	-0.957865	0	Sm(PPd)2	0	['P', 'Pd', 'Sm']	# generated using pymatgen data_Sm(PPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78014467 _cell_length_b 5.78014467 _cell_length_c 5.78014467 _cell_angle_alpha 138.04248057 _cell_angle_beta 138.04248057 _cell_angle_gamma 60.83794386 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	139	139	# generated using pymatgen data_Sm(PPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13883600 _cell_length_b 4.13883600 _cell_length_c 9.96897000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
415	22,119	mp-1187928	-0.368041	0	Yb2ZnAg	0.002794	['Ag', 'Yb', 'Zn']	# generated using pymatgen data_Yb2ZnAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15100420 _cell_length_b 5.15100420 _cell_length_c 5.15100420 _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_Yb2ZnAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28462000 _cell_length_b 7.28462000 _cell_length_c 7.28462000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
416	23,834	mp-32884	-0.216925	1.3054	Ag2S	0.005756	['Ag', 'S']	# generated using pymatgen data_Ag2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24145700 _cell_length_b 4.26353069 _cell_length_c 7.67964881 _cell_angle_alpha 89.14850503 _cell_angle_beta 89.59711731 _cell_angle_gamma 68.38104042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag...	2	2	# generated using pymatgen data_Ag2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24145700 _cell_length_b 4.26353069 _cell_length_c 7.67964881 _cell_angle_alpha 89.14850503 _cell_angle_beta 89.59711731 _cell_angle_gamma 68.38104042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag...
417	27,996	mvc-2250	-1.305267	0	YCu3(NiO3)4	0.012905	['Cu', 'Ni', 'O', 'Y']	# generated using pymatgen data_YCu3(NiO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29935620 _cell_length_b 6.29935620 _cell_length_c 6.29935620 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struc...	204	204	# generated using pymatgen data_YCu3(NiO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27387000 _cell_length_b 7.27387000 _cell_length_c 7.27387000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
418	35,732	mp-1220988	-0.655458	0.6507	NaTl3S2	0.035877	['Na', 'S', 'Tl']	# generated using pymatgen data_NaTl3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29341600 _cell_length_b 7.30850800 _cell_length_c 12.37711000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	26	26	# generated using pymatgen data_NaTl3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29341600 _cell_length_b 7.30850800 _cell_length_c 12.37711000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
419	13,835	mp-549709	-2.475585	1.4576	ErBi2ClO4	0	['Er', 'Bi', 'Cl', 'O']	# generated using pymatgen data_ErBi2ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87991200 _cell_length_b 3.87991200 _cell_length_c 8.99993200 _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_ErBi2ClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87991200 _cell_length_b 3.87991200 _cell_length_c 8.99993200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
420	460	mp-570631	-0.793244	0	U(FeP)2	0	['Fe', 'P', 'U']	# generated using pymatgen data_U(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38802428 _cell_length_b 5.38802428 _cell_length_c 5.38802428 _cell_angle_alpha 138.68981574 _cell_angle_beta 138.68981574 _cell_angle_gamma 59.84813934 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	139	139	# generated using pymatgen data_U(FeP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80116000 _cell_length_b 3.80116000 _cell_length_c 9.33946400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
421	34,076	mp-1114337	-2.462734	2.2704	Na2LiIrF6	0.031438	['F', 'Ir', 'Li', 'Na']	# generated using pymatgen data_Na2LiIrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66366227 _cell_length_b 5.66366227 _cell_length_c 5.66366227 _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_Na2LiIrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00962799 _cell_length_b 8.00962799 _cell_length_c 8.00962799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
422	21,395	mp-570256	-0.514542	1.5935	Ag2HgI4	0.001643	['Ag', 'Hg', 'I']	# generated using pymatgen data_Ag2HgI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56639000 _cell_length_b 6.56639000 _cell_length_c 6.50007200 _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_Ag2HgI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56639000 _cell_length_b 6.56639000 _cell_length_c 6.50007200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
423	19,551	mp-1087504	-0.296068	0.5176	KZn4P3	0	['K', 'P', 'Zn']	# generated using pymatgen data_KZn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.69981297 _cell_length_b 11.69981297 _cell_length_c 11.69981260 _cell_angle_alpha 19.96073834 _cell_angle_beta 19.96073834 _cell_angle_gamma 19.96073474 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	166	166	# generated using pymatgen data_KZn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05540633 _cell_length_b 4.05540633 _cell_length_c 34.38941148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
424	7,454	mp-864903	-0.358763	0	MgTaRu2	0	['Mg', 'Ta', 'Ru']	# generated using pymatgen data_MgTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43317202 _cell_length_b 4.43317202 _cell_length_c 4.43317202 _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_MgTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26945200 _cell_length_b 6.26945200 _cell_length_c 6.26945200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
425	36,165	mp-1212824	-0.391906	0	Er(Co2Ge)2	0.039404	['Co', 'Er', 'Ge']	# generated using pymatgen data_Er(Co2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21969600 _cell_length_b 7.21969600 _cell_length_c 3.70480200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	136	136	# generated using pymatgen data_Er(Co2Ge)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21969600 _cell_length_b 7.21969600 _cell_length_c 3.70480200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
426	34,602	mp-11317	-0.008342	0	CeFe5	0.032478	['Ce', 'Fe']	# generated using pymatgen data_CeFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00220199 _cell_length_b 5.00220199 _cell_length_c 4.04602600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999992 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	191	191	# generated using pymatgen data_CeFe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00220199 _cell_length_b 5.00220199 _cell_length_c 4.04602600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
427	12,950	mp-865421	-0.146018	0	UGaTc2	0	['U', 'Ga', 'Tc']	# generated using pymatgen data_UGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57879501 _cell_length_b 4.57879501 _cell_length_c 4.57879501 _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_UGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47539400 _cell_length_b 6.47539400 _cell_length_c 6.47539400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
428	34,006	mp-1025066	-0.157661	0	ErInCo4	0.030718	['Co', 'Er', 'In']	# generated using pymatgen data_ErInCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96940928 _cell_length_b 4.96940928 _cell_length_c 4.96940928 _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_ErInCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02780600 _cell_length_b 7.02780600 _cell_length_c 7.02780600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
429	6,545	mp-1095134	-0.677401	0	LaCoGe2	0	['Co', 'Ge', 'La']	# generated using pymatgen data_LaCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56354874 _cell_length_b 8.56354874 _cell_length_c 4.31639800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.56961262 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_LaCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35053000 _cell_length_b 16.56533600 _cell_length_c 4.31639800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
430	28,638	mp-1187657	-0.261604	0	YbCeAg2	0.015363	['Ag', 'Ce', 'Yb']	# generated using pymatgen data_YbCeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24246139 _cell_length_b 5.24246139 _cell_length_c 5.24246139 _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_YbCeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41396000 _cell_length_b 7.41396000 _cell_length_c 7.41396000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
431	28,085	mp-1184131	-0.321905	0	Er2AgOs	0.014056	['Ag', 'Er', 'Os']	# generated using pymatgen data_Er2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90693640 _cell_length_b 4.90693640 _cell_length_c 4.90693640 _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_Er2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93945601 _cell_length_b 6.93945601 _cell_length_c 6.93945601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
432	18,963	mp-866074	-0.295011	0	NdMgAg2	0	['Ag', 'Mg', 'Nd']	# generated using pymatgen data_NdMgAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06420967 _cell_length_b 5.06420967 _cell_length_c 5.06420967 _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_NdMgAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16187400 _cell_length_b 7.16187400 _cell_length_c 7.16187400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
433	30,890	mp-752465	-3.200468	2.0645	LiVF4	0.020323	['F', 'Li', 'V']	# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48008800 _cell_length_b 5.56466158 _cell_length_c 6.03658933 _cell_angle_alpha 90.15586381 _cell_angle_beta 116.68423180 _cell_angle_gamma 91.79104555 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	2	2	# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48008800 _cell_length_b 5.56466158 _cell_length_c 6.03658933 _cell_angle_alpha 90.15586381 _cell_angle_beta 116.68423180 _cell_angle_gamma 91.79104555 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
434	7,259	mp-21229	-0.553414	0	Eu(SiAu)2	0	['Au', 'Eu', 'Si']	# generated using pymatgen data_Eu(SiAu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96608242 _cell_length_b 5.96608242 _cell_length_c 5.96608242 _cell_angle_alpha 136.82847384 _cell_angle_beta 136.82847384 _cell_angle_gamma 62.70206916 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Eu(SiAu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38976600 _cell_length_b 4.38976600 _cell_length_c 10.19001800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
435	39,295	mp-15155	-3.355311	2.019	Na2Sm2Ti3O10	0.05182	['Na', 'O', 'Sm', 'Ti']	# generated using pymatgen data_Na2Sm2Ti3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.60320788 _cell_length_b 14.60320788 _cell_length_c 14.60320788 _cell_angle_alpha 164.90286601 _cell_angle_beta 164.90286601 _cell_angle_gamma 21.41326413 _symmetry_Int_Tables_number 1 _chemical_formula_st...	139	139	# generated using pymatgen data_Na2Sm2Ti3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83674600 _cell_length_b 3.83674600 _cell_length_c 28.69796999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
436	35,867	mp-569581	-0.210499	0	Bi2Pt	0.036831	['Bi', 'Pt']	# generated using pymatgen data_Bi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15989857 _cell_length_b 4.15989857 _cell_length_c 5.60763500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000902 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	164	164	# generated using pymatgen data_Bi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15989857 _cell_length_b 4.15989857 _cell_length_c 5.60763500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
437	18,901	mp-675	-0.145261	0	ZrW2	0	['Zr', 'W']	# generated using pymatgen data_ZrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42217399 _cell_length_b 5.42217399 _cell_length_c 5.42217399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr...	227	227	# generated using pymatgen data_ZrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66811199 _cell_length_b 7.66811199 _cell_length_c 7.66811199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr...
438	25,499	mvc-14834	-3.964886	4.7129	CaTiF6	0.008518	['Ca', 'F', 'Ti']	# generated using pymatgen data_CaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79684219 _cell_length_b 5.79684219 _cell_length_c 5.79684298 _cell_angle_alpha 58.00181431 _cell_angle_beta 58.00181431 _cell_angle_gamma 58.00181125 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	148	148	# generated using pymatgen data_CaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62089032 _cell_length_b 5.62089032 _cell_length_c 14.40996926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
439	31,852	mp-38220	-1.398315	3.0358	RbNO3	0.023135	['N', 'O', 'Rb']	# generated using pymatgen data_RbNO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76399944 _cell_length_b 6.76399944 _cell_length_c 6.76399903 _cell_angle_alpha 54.15721447 _cell_angle_beta 54.15721447 _cell_angle_gamma 54.15721353 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...	167	167	# generated using pymatgen data_RbNO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15811395 _cell_length_b 6.15811395 _cell_length_c 17.26262081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
440	21,863	mp-559736	-1.742928	1.6427	VAgO3	0.002403	['Ag', 'O', 'V']	# generated using pymatgen data_VAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46345384 _cell_length_b 9.46345384 _cell_length_c 8.14726611 _cell_angle_alpha 75.11920912 _cell_angle_beta 75.11920912 _cell_angle_gamma 22.05378371 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...	8	8	# generated using pymatgen data_VAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.57747000 _cell_length_b 3.62014400 _cell_length_c 8.14726611 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.16735465 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
441	42,777	mp-1282563	-1.405971	0.9108	NaCo2O3	0.067854	['Co', 'Na', 'O']	# generated using pymatgen data_NaCo2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99683356 _cell_length_b 5.88731488 _cell_length_c 5.17598500 _cell_angle_alpha 89.99981502 _cell_angle_beta 90.00028587 _cell_angle_gamma 119.68786280 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	4	4	# generated using pymatgen data_NaCo2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88731488 _cell_length_b 5.17598500 _cell_length_c 5.97083754 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.24732938 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
442	11,253	mp-1674	-2.072376	0	PrSe	0	['Pr', 'Se']	# generated using pymatgen data_PrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26714335 _cell_length_b 4.26714335 _cell_length_c 4.26714335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...	225	225	# generated using pymatgen data_PrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03465200 _cell_length_b 6.03465200 _cell_length_c 6.03465200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...
443	30,306	mp-19282	-2.664435	3.4564	Sr2ZnWO6	0.019515	['Sr', 'Zn', 'W', 'O']	# generated using pymatgen data_Sr2ZnWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70709560 _cell_length_b 5.70709560 _cell_length_c 5.70709560 _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_Sr2ZnWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07105200 _cell_length_b 8.07105200 _cell_length_c 8.07105200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
444	3,030	mp-1078832	-0.646892	0	ZrGaNi	0	['Ga', 'Ni', 'Zr']	# generated using pymatgen data_ZrGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85806208 _cell_length_b 6.85806208 _cell_length_c 3.50414100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000073 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_ZrGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85806208 _cell_length_b 6.85806208 _cell_length_c 3.50414100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
445	3,176	mp-1217605	-1.350241	1.655	TbCuPbS3	0	['Cu', 'Pb', 'S', 'Tb']	# generated using pymatgen data_TbCuPbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82669990 _cell_length_b 6.82669990 _cell_length_c 10.26269700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.25153269 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	36	36	# generated using pymatgen data_TbCuPbS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96319800 _cell_length_b 13.06554200 _cell_length_c 10.26269700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
446	5,760	mp-21450	-0.807124	0	Nd2InPd2	0	['In', 'Nd', 'Pd']	# generated using pymatgen data_Nd2InPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87710900 _cell_length_b 7.87710900 _cell_length_c 3.88837500 _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_Nd2InPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87710900 _cell_length_b 7.87710900 _cell_length_c 3.88837500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
447	40,421	mp-755683	-1.597889	1.0845	Mn5NiO12	0.055796	['Mn', 'Ni', 'O']	# generated using pymatgen data_Mn5NiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02989933 _cell_length_b 5.02989933 _cell_length_c 9.71011407 _cell_angle_alpha 89.99660470 _cell_angle_beta 89.99660470 _cell_angle_gamma 120.06735070 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	12	12	# generated using pymatgen data_Mn5NiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02477800 _cell_length_b 8.71499599 _cell_length_c 9.71011407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00679752 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
448	8,752	mp-19147	-1.65506	3.3914	NiCO3	0	['Ni', 'C', 'O']	# generated using pymatgen data_NiCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64331670 _cell_length_b 5.64331670 _cell_length_c 5.64331665 _cell_angle_alpha 48.71225688 _cell_angle_beta 48.71225688 _cell_angle_gamma 48.71225055 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	167	167	# generated using pymatgen data_NiCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65468627 _cell_length_b 4.65468627 _cell_length_c 14.88707134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
449	42,958	mp-8045	-0.885536	0	V5P3N	0.066783	['V', 'P', 'N']	# generated using pymatgen data_V5P3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84816984 _cell_length_b 6.84816984 _cell_length_c 5.12748800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999842 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	193	193	# generated using pymatgen data_V5P3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84816984 _cell_length_b 6.84816984 _cell_length_c 5.12748800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
450	1	mp-1018647	-0.66896	0	YbNiH3	0	['Yb', 'Ni', 'H']	# generated using pymatgen data_YbNiH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47045300 _cell_length_b 3.47045300 _cell_length_c 3.47045300 _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_YbNiH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47045300 _cell_length_b 3.47045300 _cell_length_c 3.47045300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
451	15,540	mp-1079794	-0.549362	0	LuSiAg	0	['Ag', 'Lu', 'Si']	# generated using pymatgen data_LuSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96552646 _cell_length_b 6.96552646 _cell_length_c 4.12248400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000439 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_LuSiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96552646 _cell_length_b 6.96552646 _cell_length_c 4.12248400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
452	1,404	mp-569304	0	2.6904	C	0	['C']	# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.93978167 _cell_length_b 11.93978167 _cell_length_c 11.93978189 _cell_angle_alpha 11.87106582 _cell_angle_beta 11.87106582 _cell_angle_gamma 11.87106933 _symmetry_Int_Tables_number 1 _chemical_formula_structural C ...	166	166	# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46937130 _cell_length_b 2.46937130 _cell_length_c 35.56307222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _...
453	18,491	mp-989523	-2.802716	4.5732	Rb2NaAsF6	0	['Rb', 'Na', 'As', 'F']	# generated using pymatgen data_Rb2NaAsF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23203046 _cell_length_b 6.23203046 _cell_length_c 6.23203046 _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_Rb2NaAsF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81342200 _cell_length_b 8.81342200 _cell_length_c 8.81342200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
454	7,282	mp-2484	-0.461104	0	SmSn3	0	['Sm', 'Sn']	# generated using pymatgen data_SmSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75742900 _cell_length_b 4.75742900 _cell_length_c 4.75742900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...	221	221	# generated using pymatgen data_SmSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75742900 _cell_length_b 4.75742900 _cell_length_c 4.75742900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
455	44,467	mp-866811	-1.314388	0.7674	CaSnS3	0.073838	['Ca', 'S', 'Sn']	# generated using pymatgen data_CaSnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84345600 _cell_length_b 8.30690800 _cell_length_c 13.79083400 _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_CaSnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84345600 _cell_length_b 8.30690800 _cell_length_c 13.79083400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
456	6,015	mp-1025536	-0.615886	0	PrGa2Ni	0	['Ga', 'Ni', 'Pr']	# generated using pymatgen data_PrGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01288026 _cell_length_b 9.01288026 _cell_length_c 4.22126800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 152.92762320 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	65	65	# generated using pymatgen data_PrGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21910000 _cell_length_b 17.52504601 _cell_length_c 4.22126800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
457	34,859	mp-555984	-1.007606	0	EuCu2SnS4	0.033214	['Cu', 'Eu', 'S', 'Sn']	# generated using pymatgen data_EuCu2SnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09129027 _cell_length_b 6.09129027 _cell_length_c 10.50652300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.07323532 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	40	40	# generated using pymatgen data_EuCu2SnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44918000 _cell_length_b 10.33553801 _cell_length_c 10.50652300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
458	25,323	mp-2449	-0.499952	0	NbRh3	0.008413	['Nb', 'Rh']	# generated using pymatgen data_NbRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91068300 _cell_length_b 3.91068300 _cell_length_c 3.91068300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	221	221	# generated using pymatgen data_NbRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91068300 _cell_length_b 3.91068300 _cell_length_c 3.91068300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
459	29,568	mp-1105973	-1.309025	0.7889	ScAgSe2	0.018583	['Ag', 'Sc', 'Se']	# generated using pymatgen data_ScAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03337000 _cell_length_b 6.77933500 _cell_length_c 13.32838600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	19	19	# generated using pymatgen data_ScAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03337000 _cell_length_b 6.77933500 _cell_length_c 13.32838600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
460	5,090	mp-1112669	-2.48992	5.0999	Cs2LiTbCl6	0	['Cl', 'Cs', 'Li', 'Tb']	# generated using pymatgen data_Cs2LiTbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52807800 _cell_length_b 7.52807800 _cell_length_c 7.52807800 _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_Cs2LiTbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64631001 _cell_length_b 10.64631001 _cell_length_c 10.64631001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
461	12,482	mp-9687	-0.485978	1.4329	K2PAu	0	['K', 'P', 'Au']	# generated using pymatgen data_K2PAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18373149 _cell_length_b 6.18373149 _cell_length_c 6.35637900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.34486606 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_K2PAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41316600 _cell_length_b 9.89945000 _cell_length_c 6.35637900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
462	26,087	mp-1185337	-0.176469	0	LiHg3	0.010433	['Hg', 'Li']	# generated using pymatgen data_LiHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41008429 _cell_length_b 5.41008429 _cell_length_c 5.41008429 _cell_angle_alpha 129.16323661 _cell_angle_beta 129.16323661 _cell_angle_gamma 74.74806062 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	139	139	# generated using pymatgen data_LiHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64428600 _cell_length_b 4.64428600 _cell_length_c 8.59867799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
463	15,462	mp-867180	-2.322307	2.5717	Pm2S3	0	['Pm', 'S']	# generated using pymatgen data_Pm2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52225609 _cell_length_b 7.52225609 _cell_length_c 7.52225624 _cell_angle_alpha 56.65517785 _cell_angle_beta 56.65517785 _cell_angle_gamma 56.65518339 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...	167	167	# generated using pymatgen data_Pm2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13880372 _cell_length_b 7.13880372 _cell_length_c 18.87780404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
464	22,950	mp-862946	-0.284083	0	Li2PmSi	0.003406	['Li', 'Pm', 'Si']	# generated using pymatgen data_Li2PmSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61813277 _cell_length_b 4.61813277 _cell_length_c 4.61813277 _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_Li2PmSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53102600 _cell_length_b 6.53102600 _cell_length_c 6.53102600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
465	36,103	mp-1183611	0.039516	0	CaYb3	0.039516	['Ca', 'Yb']	# generated using pymatgen data_CaYb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86312388 _cell_length_b 7.86312388 _cell_length_c 6.19999400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999900 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_CaYb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86312388 _cell_length_b 7.86312388 _cell_length_c 6.19999400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
466	7,072	mp-1105549	-2.140347	1.7489	BaHfS3	0	['Ba', 'Hf', 'S']	# generated using pymatgen data_BaHfS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00103100 _cell_length_b 7.09531800 _cell_length_c 10.01967700 _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_BaHfS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00103100 _cell_length_b 7.09531800 _cell_length_c 10.01967700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
467	2,308	mp-23959	-2.191581	5.4404	KP(HO2)2	0	['K', 'P', 'H', 'O']	# generated using pymatgen data_KP(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56384323 _cell_length_b 6.44058874 _cell_length_c 6.40535558 _cell_angle_alpha 72.14487472 _cell_angle_beta 54.14328292 _cell_angle_gamma 53.71184236 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	43	43	# generated using pymatgen data_KP(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11309200 _cell_length_b 10.65449400 _cell_length_c 10.73911800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
468	1,489	mp-9321	-2.20844	0.9291	Ba2HfS4	0	['Ba', 'Hf', 'S']	# generated using pymatgen data_Ba2HfS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67590223 _cell_length_b 8.67590223 _cell_length_c 8.67590223 _cell_angle_alpha 146.73464282 _cell_angle_beta 146.73464282 _cell_angle_gamma 47.75684814 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	139	139	# generated using pymatgen data_Ba2HfS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96669200 _cell_length_b 4.96669200 _cell_length_c 15.86660200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
469	30,851	mp-510311	-0.410934	0	BaZnPb	0.020345	['Ba', 'Zn', 'Pb']	# generated using pymatgen data_BaZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88677586 _cell_length_b 4.88677586 _cell_length_c 9.86969500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999814 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_BaZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88677586 _cell_length_b 4.88677586 _cell_length_c 9.86969500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
470	21,153	mp-1215517	-0.255964	0	Zr2MnFe3	0.001225	['Fe', 'Mn', 'Zr']	# generated using pymatgen data_Zr2MnFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02616111 _cell_length_b 5.02616111 _cell_length_c 5.02616109 _cell_angle_alpha 59.33005224 _cell_angle_beta 59.33005224 _cell_angle_gamma 59.33006137 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	166	166	# generated using pymatgen data_Zr2MnFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97517965 _cell_length_b 4.97517965 _cell_length_c 12.37349687 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
471	42,540	mp-1094479	0.056644	0	MgZr	0.067378	['Mg', 'Zr']	# generated using pymatgen data_MgZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80483679 _cell_length_b 5.80483679 _cell_length_c 5.80483706 _cell_angle_alpha 30.62388298 _cell_angle_beta 30.62388298 _cell_angle_gamma 30.62388483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...	166	166	# generated using pymatgen data_MgZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06581395 _cell_length_b 3.06581395 _cell_length_c 16.58516011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
472	42,882	mp-754178	-2.703442	1.0959	Mn5OF11	0.067383	['F', 'Mn', 'O']	# generated using pymatgen data_Mn5OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53843660 _cell_length_b 5.79992512 _cell_length_c 9.33213732 _cell_angle_alpha 107.43100986 _cell_angle_beta 90.25807225 _cell_angle_gamma 64.58771390 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_Mn5OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53843660 _cell_length_b 5.79992512 _cell_length_c 9.39683100 _cell_angle_alpha 71.35361282 _cell_angle_beta 74.90653975 _cell_angle_gamma 64.58771390 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
473	28,422	mp-754212	-1.977387	3.9768	BaSr2I6	0.014299	['Ba', 'I', 'Sr']	# generated using pymatgen data_BaSr2I6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37100973 _cell_length_b 8.37100973 _cell_length_c 7.64038500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999784 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	162	162	# generated using pymatgen data_BaSr2I6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37100973 _cell_length_b 8.37100973 _cell_length_c 7.64038500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
474	34,448	mp-770627	-2.021164	0.1892	Li2MnFeO4	0.031241	['Fe', 'Li', 'Mn', 'O']	# generated using pymatgen data_Li2MnFeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96026829 _cell_length_b 5.96026829 _cell_length_c 5.96026829 _cell_angle_alpha 119.12867940 _cell_angle_beta 118.52814008 _cell_angle_gamma 92.04228164 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	74	74	# generated using pymatgen data_Li2MnFeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03859200 _cell_length_b 6.09237200 _cell_length_c 8.27753601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
475	23,290	mp-12912	-2.737936	0.1501	Ba2PrRuO6	0.004915	['Ba', 'O', 'Pr', 'Ru']	# generated using pymatgen data_Ba2PrRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10326490 _cell_length_b 6.10326490 _cell_length_c 6.10326490 _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_Ba2PrRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63132000 _cell_length_b 8.63132000 _cell_length_c 8.63132000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
476	9,694	mp-1219800	-0.401866	0	Ni6Ge2P	0	['Ge', 'Ni', 'P']	# generated using pymatgen data_Ni6Ge2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16668263 _cell_length_b 6.16668263 _cell_length_c 3.19795900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000679 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_Ni6Ge2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16668263 _cell_length_b 6.16668263 _cell_length_c 3.19795900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
477	25,348	mp-34467	-1.010856	1.8997	Zn(GaS2)2	0.008577	['Zn', 'Ga', 'S']	# generated using pymatgen data_Zn(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57844840 _cell_length_b 6.57844840 _cell_length_c 6.57844840 _cell_angle_alpha 133.05512002 _cell_angle_beta 133.05512002 _cell_angle_gamma 68.56759844 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	121	121	# generated using pymatgen data_Zn(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24049600 _cell_length_b 5.24049600 _cell_length_c 10.87098600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
478	33,860	mp-4535	-3.036926	3.4151	PrGaO3	0.029261	['Ga', 'O', 'Pr']	# generated using pymatgen data_PrGaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50864100 _cell_length_b 5.60953700 _cell_length_c 7.83722100 _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_PrGaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50864100 _cell_length_b 5.60953700 _cell_length_c 7.83722100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
479	13,160	mp-1209696	-0.196001	0.0069	Sm12Co6Pb	0	['Co', 'Pb', 'Sm']	# generated using pymatgen data_Sm12Co6Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54676487 _cell_length_b 8.54676487 _cell_length_c 8.54676487 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	204	204	# generated using pymatgen data_Sm12Co6Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86895400 _cell_length_b 9.86895400 _cell_length_c 9.86895400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
480	6,211	mp-13385	-0.834393	1.8469	TmAg(PSe3)2	0	['Ag', 'P', 'Se', 'Tm']	# generated using pymatgen data_TmAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63995773 _cell_length_b 6.63995773 _cell_length_c 15.09668400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999734 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	163	163	# generated using pymatgen data_TmAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63995773 _cell_length_b 6.63995773 _cell_length_c 15.09668400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
481	7,942	mp-865422	-0.823089	0	YbTmRh2	0	['Rh', 'Tm', 'Yb']	# generated using pymatgen data_YbTmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74468650 _cell_length_b 4.74468650 _cell_length_c 4.74468650 _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_YbTmRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71000000 _cell_length_b 6.71000000 _cell_length_c 6.71000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
482	17,751	mp-17112	-0.277365	1.348	K3Ge4Au	0	['Au', 'Ge', 'K']	# generated using pymatgen data_K3Ge4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19527700 _cell_length_b 6.71184600 _cell_length_c 12.17578200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	59	59	# generated using pymatgen data_K3Ge4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19527700 _cell_length_b 6.71184600 _cell_length_c 12.17578200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
483	19,426	mp-768	-0.413781	0	TmAl3	0	['Tm', 'Al']	# generated using pymatgen data_TmAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22258500 _cell_length_b 4.22258500 _cell_length_c 4.22258500 _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_TmAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22258500 _cell_length_b 4.22258500 _cell_length_c 4.22258500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
484	9,776	mp-21293	-0.297634	0	Li3In2	0	['In', 'Li']	# generated using pymatgen data_Li3In2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62637555 _cell_length_b 5.62637555 _cell_length_c 5.62637559 _cell_angle_alpha 49.98935394 _cell_angle_beta 49.98935394 _cell_angle_gamma 49.98934713 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	166	166	# generated using pymatgen data_Li3In2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75467031 _cell_length_b 4.75467031 _cell_length_c 14.73377906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
485	13,920	mp-862748	-1.506524	0	Sr2MnZn2(AsO)2	0	['As', 'Mn', 'O', 'Sr', 'Zn']	# generated using pymatgen data_Sr2MnZn2(AsO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19946301 _cell_length_b 4.19946301 _cell_length_c 9.89006274 _cell_angle_alpha 102.26041709 _cell_angle_beta 102.26041709 _cell_angle_gamma 90.00671257 _symmetry_Int_Tables_number 1 _chemical_formula_str...	139	139	# generated using pymatgen data_Sr2MnZn2(AsO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19946301 _cell_length_b 4.19946301 _cell_length_c 18.86696203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
486	28,284	mp-1298446	-2.705393	0.7963	Ca2MnGaO5	0.014855	['Ca', 'Ga', 'Mn', 'O']	# generated using pymatgen data_Ca2MnGaO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37513370 _cell_length_b 5.61743900 _cell_length_c 8.44171964 _cell_angle_alpha 109.41055999 _cell_angle_beta 108.54649186 _cell_angle_gamma 90.29094591 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	5	5	# generated using pymatgen data_Ca2MnGaO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.99199831 _cell_length_b 5.37513370 _cell_length_c 5.61743900 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.48512249 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
487	22,974	mp-972540	-0.344774	0	SmYZn2	0.003442	['Sm', 'Y', 'Zn']	# generated using pymatgen data_SmYZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11478761 _cell_length_b 5.11478761 _cell_length_c 5.11478761 _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_SmYZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23340201 _cell_length_b 7.23340201 _cell_length_c 7.23340201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
488	35,681	mp-1215562	-1.647488	0.1909	Zn3CdO4	0.036862	['Cd', 'O', 'Zn']	# generated using pymatgen data_Zn3CdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36430647 _cell_length_b 3.36430647 _cell_length_c 11.02406700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000916 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	156	156	# generated using pymatgen data_Zn3CdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36430647 _cell_length_b 3.36430647 _cell_length_c 11.02406700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
489	11,906	mp-648086	-0.54005	0	GdGa2Co	0	['Co', 'Ga', 'Gd']	# generated using pymatgen data_GdGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98294707 _cell_length_b 4.13695832 _cell_length_c 9.21440826 _cell_angle_alpha 103.01970729 _cell_angle_beta 90.02326043 _cell_angle_gamma 89.99566359 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	65	65	# generated using pymatgen data_GdGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13695832 _cell_length_b 17.95506628 _cell_length_c 3.98294707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
490	12,922	mp-8621	-1.095114	1.1039	K2PtSe2	0	['K', 'Pt', 'Se']	# generated using pymatgen data_K2PtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48231099 _cell_length_b 6.48231099 _cell_length_c 6.48231099 _cell_angle_alpha 145.79812884 _cell_angle_beta 109.90186277 _cell_angle_gamma 80.35911218 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	71	71	# generated using pymatgen data_K2PtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81232400 _cell_length_b 7.44529401 _cell_length_c 9.90531201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
491	39,354	mp-560531	-2.677269	2.6998	BaWO4	0.051718	['Ba', 'O', 'W']	# generated using pymatgen data_BaWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90283400 _cell_length_b 4.19704300 _cell_length_c 7.84108152 _cell_angle_alpha 75.24747345 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	11	11	# generated using pymatgen data_BaWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19704300 _cell_length_b 5.90283400 _cell_length_c 7.84108152 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.75252655 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
492	40,998	mvc-9843	-3.475132	0	HoMgTi2O6	0.057882	['Ho', 'Mg', 'O', 'Ti']	# generated using pymatgen data_HoMgTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24370500 _cell_length_b 5.48621600 _cell_length_c 7.61290800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	31	31	# generated using pymatgen data_HoMgTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24370500 _cell_length_b 5.48621600 _cell_length_c 7.61290800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
493	37,885	mp-753081	-1.299959	0	Li3(CuO)4	0.04387	['Li', 'Cu', 'O']	# generated using pymatgen data_Li3(CuO)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34305649 _cell_length_b 6.34305649 _cell_length_c 6.34305649 _cell_angle_alpha 145.80157625 _cell_angle_beta 97.17582999 _cell_angle_gamma 92.75063853 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	44	44	# generated using pymatgen data_Li3(CuO)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73006200 _cell_length_b 8.39148400 _cell_length_c 8.75254799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
494	33,944	mp-760891	-1.596782	0	Cu3OF5	0.029713	['Cu', 'F', 'O']	# generated using pymatgen data_Cu3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51255887 _cell_length_b 4.59455407 _cell_length_c 5.91396840 _cell_angle_alpha 93.73918969 _cell_angle_beta 89.23723719 _cell_angle_gamma 89.29177920 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_Cu3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59455407 _cell_length_b 5.91396840 _cell_length_c 7.51255887 _cell_angle_alpha 90.76276281 _cell_angle_beta 90.70822080 _cell_angle_gamma 93.73918969 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
495	44,143	mp-1183123	0.075314	0	Ac3Lu	0.075314	['Ac', 'Lu']	# generated using pymatgen data_Ac3Lu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81939054 _cell_length_b 7.81939054 _cell_length_c 6.30725200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000453 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_Ac3Lu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81939054 _cell_length_b 7.81939054 _cell_length_c 6.30725200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
496	6,610	mp-1184738	-0.437861	0	HoErIn2	0	['Er', 'Ho', 'In']	# generated using pymatgen data_HoErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27696962 _cell_length_b 5.27696962 _cell_length_c 5.27696962 _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_HoErIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46276200 _cell_length_b 7.46276200 _cell_length_c 7.46276200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
497	38,623	mp-1187409	-0.079011	0	Th2CuTc	0.049153	['Cu', 'Tc', 'Th']	# generated using pymatgen data_Th2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05637776 _cell_length_b 5.05637776 _cell_length_c 5.05637776 _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_Th2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15079800 _cell_length_b 7.15079800 _cell_length_c 7.15079800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
498	6,136	mp-1189143	-2.549988	2.4146	NaNdFeWO6	0	['Fe', 'Na', 'Nd', 'O', 'W']	# generated using pymatgen data_NaNdFeWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55606800 _cell_length_b 5.60151800 _cell_length_c 8.11166461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.31135769 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	4	4	# generated using pymatgen data_NaNdFeWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55606800 _cell_length_b 5.60151800 _cell_length_c 8.11166461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.31135769 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
499	756	mp-9919	-0.429644	0.415	LiZnSb	0	['Li', 'Zn', 'Sb']	# generated using pymatgen data_LiZnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46481010 _cell_length_b 4.46481010 _cell_length_c 7.23805200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000150 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	186	186	# generated using pymatgen data_LiZnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46481010 _cell_length_b 4.46481010 _cell_length_c 7.23805200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

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