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
100	27,714	mp-1219522	0.013547	0	RuRh4	0.013547	['Rh', 'Ru']	# generated using pymatgen data_RuRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15878201 _cell_length_b 11.15878201 _cell_length_c 11.15878124 _cell_angle_alpha 14.01407843 _cell_angle_beta 14.01407843 _cell_angle_gamma 14.01407690 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	166	166	# generated using pymatgen data_RuRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72254810 _cell_length_b 2.72254810 _cell_length_c 33.14255402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
101	27,581	mp-1183187	-0.211591	0	AlFe2Ge	0.012932	['Al', 'Fe', 'Ge']	# generated using pymatgen data_AlFe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04734487 _cell_length_b 4.04734487 _cell_length_c 4.04734487 _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_AlFe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72381001 _cell_length_b 5.72381001 _cell_length_c 5.72381001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
102	11,042	mp-1095550	-1.195228	0	HoAsPt	0	['As', 'Ho', 'Pt']	# generated using pymatgen data_HoAsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27435610 _cell_length_b 4.27435610 _cell_length_c 15.51397100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000160 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_HoAsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27435610 _cell_length_b 4.27435610 _cell_length_c 15.51397100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
103	12,184	mp-1222929	-0.465587	0	LaAlNi4	0	['Al', 'La', 'Ni']	# generated using pymatgen data_LaAlNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97751731 _cell_length_b 4.97751731 _cell_length_c 4.04785000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.45383475 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	65	65	# generated using pymatgen data_LaAlNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16783400 _cell_length_b 8.50859601 _cell_length_c 4.04785000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
104	35,383	mp-570778	0.034978	2.6885	Cl2	0.034978	['Cl']	# generated using pymatgen data_Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76580900 _cell_length_b 11.76580900 _cell_length_c 8.20352500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...	138	138	# generated using pymatgen data_Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76580900 _cell_length_b 11.76580900 _cell_length_c 8.20352500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
105	3,719	mp-13384	-0.834633	1.8335	ErAg(PSe3)2	0	['Ag', 'Er', 'P', 'Se']	# generated using pymatgen data_ErAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65356498 _cell_length_b 6.65356498 _cell_length_c 15.23170800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998982 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	163	163	# generated using pymatgen data_ErAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65356498 _cell_length_b 6.65356498 _cell_length_c 15.23170800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
106	7,265	mp-21510	-0.488123	0.8731	K2NaInAs2	0	['As', 'In', 'K', 'Na']	# generated using pymatgen data_K2NaInAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13689991 _cell_length_b 9.13689991 _cell_length_c 9.13689991 _cell_angle_alpha 136.14349355 _cell_angle_beta 135.84269566 _cell_angle_gamma 63.99132720 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	72	72	# generated using pymatgen data_K2NaInAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82426400 _cell_length_b 6.86873800 _cell_length_c 15.49779400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
107	31,228	mp-1220781	-2.393459	3.0399	NaLi3V4O12	0.021836	['Li', 'Na', 'O', 'V']	# generated using pymatgen data_NaLi3V4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84307872 _cell_length_b 6.84307872 _cell_length_c 5.92263809 _cell_angle_alpha 75.01420117 _cell_angle_beta 75.01420117 _cell_angle_gamma 82.15137507 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	5	5	# generated using pymatgen data_NaLi3V4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.31720399 _cell_length_b 8.99256400 _cell_length_c 5.92263809 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.06070491 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
108	22,740	mp-1226822	-0.812253	0	Ce2Y(AlPd)3	0.003998	['Al', 'Ce', 'Pd', 'Y']	# generated using pymatgen data_Ce2Y(AlPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19942288 _cell_length_b 7.19942288 _cell_length_c 4.15664800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.60981178 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	38	38	# generated using pymatgen data_Ce2Y(AlPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13296200 _cell_length_b 12.50790200 _cell_length_c 4.15664800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
109	43,790	mp-20334	-0.985335	0	CoCu2O3	0.071322	['Co', 'Cu', 'O']	# generated using pymatgen data_CoCu2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34675900 _cell_length_b 3.94128900 _cell_length_c 9.63143100 _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_CoCu2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34675900 _cell_length_b 3.94128900 _cell_length_c 9.63143100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
110	34,487	mp-997094	-1.864414	1.6597	SrAuO2	0.031812	['Sr', 'Au', 'O']	# generated using pymatgen data_SrAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13774538 _cell_length_b 6.13774538 _cell_length_c 3.67159854 _cell_angle_alpha 89.98187146 _cell_angle_beta 89.98187146 _cell_angle_gamma 108.52619295 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_SrAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16967400 _cell_length_b 9.96410800 _cell_length_c 3.67159854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.03103861 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
111	42,994	mvc-3973	-2.439885	0.8357	Ca2BiSbO6	0.066753	['Bi', 'Ca', 'O', 'Sb']	# generated using pymatgen data_Ca2BiSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23964000 _cell_length_b 5.76887000 _cell_length_c 5.97263305 _cell_angle_alpha 89.57275988 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	11	11	# generated using pymatgen data_Ca2BiSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76887000 _cell_length_b 8.23964000 _cell_length_c 5.97263305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.42724012 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
112	7,922	mp-8560	-2.177244	5.9139	SF6	0	['S', 'F']	# generated using pymatgen data_SF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18723583 _cell_length_b 5.18723583 _cell_length_c 5.18723583 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	229	229	# generated using pymatgen data_SF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98970401 _cell_length_b 5.98970401 _cell_length_c 5.98970401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SF6...
113	38,351	mp-4475	-0.412734	0	Tl(CoSe)2	0.046464	['Tl', 'Co', 'Se']	# generated using pymatgen data_Tl(CoSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33830389 _cell_length_b 7.33830389 _cell_length_c 7.33830389 _cell_angle_alpha 149.46589556 _cell_angle_beta 149.46589556 _cell_angle_gamma 43.72597946 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Tl(CoSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86462000 _cell_length_b 3.86462000 _cell_length_c 13.62102200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
114	26,308	mp-20347	-1.034653	0	NdSnPt	0.010671	['Nd', 'Pt', 'Sn']	# generated using pymatgen data_NdSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64940600 _cell_length_b 7.48278500 _cell_length_c 8.12886500 _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_NdSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64940600 _cell_length_b 7.48278500 _cell_length_c 8.12886500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
115	18,676	mp-1224395	-0.387344	0	Hf(AlFe)6	0	['Al', 'Fe', 'Hf']	# generated using pymatgen data_Hf(AlFe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48248296 _cell_length_b 6.48248296 _cell_length_c 6.48248296 _cell_angle_alpha 135.09165044 _cell_angle_beta 99.10092126 _cell_angle_gamma 97.67704175 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	71	71	# generated using pymatgen data_Hf(AlFe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95189600 _cell_length_b 8.41138601 _cell_length_c 8.53332601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
116	38,084	mp-1147589	-2.055168	0	Ba2CuSeO2	0.047162	['Ba', 'Cu', 'O', 'Se']	# generated using pymatgen data_Ba2CuSeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05272900 _cell_length_b 4.05272900 _cell_length_c 7.56178200 _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_Ba2CuSeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05272900 _cell_length_b 4.05272900 _cell_length_c 7.56178200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
117	32,792	mp-1248625	-2.992132	3.3346	MgMn(SiO3)2	0.026166	['Mg', 'Mn', 'O', 'Si']	# generated using pymatgen data_MgMn(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47431510 _cell_length_b 6.88161282 _cell_length_c 6.88169865 _cell_angle_alpha 85.43523048 _cell_angle_beta 74.31265868 _cell_angle_gamma 74.31425770 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	15	15	# generated using pymatgen data_MgMn(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11198840 _cell_length_b 9.33683207 _cell_length_c 5.47431510 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.59253291 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
118	38,054	mp-1106129	-1.548112	1.7887	Bi4Te2Br2O9	0.045569	['Bi', 'Br', 'O', 'Te']	# generated using pymatgen data_Bi4Te2Br2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57048800 _cell_length_b 5.57048800 _cell_length_c 9.81697700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	99	99	# generated using pymatgen data_Bi4Te2Br2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57048800 _cell_length_b 5.57048800 _cell_length_c 9.81697700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
119	12,354	mp-557163	-3.319559	5.1521	TaPbF7	0	['F', 'Pb', 'Ta']	# generated using pymatgen data_TaPbF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43392900 _cell_length_b 4.99580800 _cell_length_c 6.89135022 _cell_angle_alpha 85.97904932 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	11	11	# generated using pymatgen data_TaPbF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99580800 _cell_length_b 7.43392900 _cell_length_c 6.89135022 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.02095068 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
120	18,647	mp-1210309	-2.016929	4.4469	Na3TbBr6	0	['Br', 'Na', 'Tb']	# generated using pymatgen data_Na3TbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73977000 _cell_length_b 7.38234000 _cell_length_c 13.16935394 _cell_angle_alpha 56.66832378 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	14	14	# generated using pymatgen data_Na3TbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38234000 _cell_length_b 7.73977000 _cell_length_c 13.16935394 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.33167622 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
121	34,506	mp-10225	-1.250903	0	NaVS2	0.03289	['Na', 'V', 'S']	# generated using pymatgen data_NaVS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97969335 _cell_length_b 6.97969335 _cell_length_c 6.97969342 _cell_angle_alpha 29.64885799 _cell_angle_beta 29.64885799 _cell_angle_gamma 29.64885676 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	160	160	# generated using pymatgen data_NaVS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57162008 _cell_length_b 3.57162008 _cell_length_c 20.00439116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
122	32,212	mp-1219515	-0.82429	0.652	Ru2SeS3	0.024427	['Ru', 'S', 'Se']	# generated using pymatgen data_Ru2SeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74848100 _cell_length_b 5.74666300 _cell_length_c 5.74974968 _cell_angle_alpha 89.20557135 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	4	4	# generated using pymatgen data_Ru2SeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74666300 _cell_length_b 5.74848100 _cell_length_c 5.74974968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.79442865 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
123	2,434	mp-862866	-0.741593	0	PaTe3	0	['Pa', 'Te']	# generated using pymatgen data_PaTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70213151 _cell_length_b 6.70213151 _cell_length_c 5.66066000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999511 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_PaTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70213151 _cell_length_b 6.70213151 _cell_length_c 5.66066000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
124	18,195	mp-1219977	-0.611664	0	PrCuGe	0	['Cu', 'Ge', 'Pr']	# generated using pymatgen data_PrCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23897608 _cell_length_b 4.23897608 _cell_length_c 4.15710900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000132 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	187	187	# generated using pymatgen data_PrCuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23897608 _cell_length_b 4.23897608 _cell_length_c 4.15710900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
125	30,357	mp-557296	-2.567813	0.2077	Sr2MnSbO6	0.019964	['Mn', 'O', 'Sb', 'Sr']	# generated using pymatgen data_Sr2MnSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74008525 _cell_length_b 5.74008525 _cell_length_c 5.74008525 _cell_angle_alpha 121.64546057 _cell_angle_beta 121.64546057 _cell_angle_gamma 87.17284948 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Sr2MnSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59673600 _cell_length_b 5.59673600 _cell_length_c 8.31549199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
126	23,420	mp-7376	-0.500925	0	Sr3(AlSn)2	0.004529	['Sr', 'Al', 'Sn']	# generated using pymatgen data_Sr3(AlSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57473288 _cell_length_b 10.57473288 _cell_length_c 10.57473288 _cell_angle_alpha 155.38474341 _cell_angle_beta 152.74732976 _cell_angle_gamma 37.04895311 _symmetry_Int_Tables_number 1 _chemical_formula_stru...	71	71	# generated using pymatgen data_Sr3(AlSn)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50823000 _cell_length_b 4.98257800 _cell_length_c 20.05367000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
127	36,867	mp-559094	-1.066808	0.0685	Cu2H3ClO3	0.041061	['Cl', 'Cu', 'H', 'O']	# generated using pymatgen data_Cu2H3ClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17330000 _cell_length_b 5.74176400 _cell_length_c 5.80105846 _cell_angle_alpha 89.40057715 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	11	11	# generated using pymatgen data_Cu2H3ClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74176400 _cell_length_b 6.17330000 _cell_length_c 5.80105846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.59942285 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
128	12,629	mp-1205575	-2.894615	0	Sr2ScOsO6	0	['O', 'Os', 'Sc', 'Sr']	# generated using pymatgen data_Sr2ScOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72410718 _cell_length_b 5.72410718 _cell_length_c 5.72410718 _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_Sr2ScOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09511001 _cell_length_b 8.09511001 _cell_length_c 8.09511001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
129	11,119	mp-1187051	-0.416091	0	Sm2CdIn	0	['Cd', 'In', 'Sm']	# generated using pymatgen data_Sm2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41378205 _cell_length_b 5.41378205 _cell_length_c 5.41378205 _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_Sm2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65624400 _cell_length_b 7.65624400 _cell_length_c 7.65624400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
130	30,006	mp-1019378	-1.333715	3.7523	Al3GaN4	0.018787	['Al', 'Ga', 'N']	# generated using pymatgen data_Al3GaN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43157100 _cell_length_b 4.43157100 _cell_length_c 4.43157100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	215	215	# generated using pymatgen data_Al3GaN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43157100 _cell_length_b 4.43157100 _cell_length_c 4.43157100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
131	21,128	mp-1189929	-2.418342	2.5122	Li2PtF6	0.001012	['F', 'Li', 'Pt']	# generated using pymatgen data_Li2PtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74930900 _cell_length_b 4.73384400 _cell_length_c 10.46205334 _cell_angle_alpha 63.16877099 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	14	14	# generated using pymatgen data_Li2PtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73384400 _cell_length_b 4.74930900 _cell_length_c 10.46205334 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.83122901 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
132	521	mp-29364	-2.198206	2.9218	Li5SbO5	0	['Li', 'Sb', 'O']	# generated using pymatgen data_Li5SbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31822342 _cell_length_b 5.31822342 _cell_length_c 5.87935709 _cell_angle_alpha 72.59971515 _cell_angle_beta 72.59971515 _cell_angle_gamma 44.97075560 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Li5SbO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82783400 _cell_length_b 4.06788400 _cell_length_c 5.87935709 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.88382711 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
133	22,843	mp-3827	-1.00159	0	KFeS2	0.004089	['K', 'Fe', 'S']	# generated using pymatgen data_KFeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64715640 _cell_length_b 6.64715640 _cell_length_c 5.37102030 _cell_angle_alpha 78.46385042 _cell_angle_beta 78.46385042 _cell_angle_gamma 116.23401461 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	15	15	# generated using pymatgen data_KFeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02187400 _cell_length_b 11.28858000 _cell_length_c 5.37102030 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.24872747 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
134	27,610	mp-1186253	-0.200196	0	Nd2MgCd	0.01325	['Cd', 'Mg', 'Nd']	# generated using pymatgen data_Nd2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46980471 _cell_length_b 5.46980471 _cell_length_c 5.46980471 _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_Nd2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73547200 _cell_length_b 7.73547200 _cell_length_c 7.73547200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
135	14,848	mp-4574	-3.207074	0	YbTaO4	0	['Yb', 'Ta', 'O']	# generated using pymatgen data_YbTaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58313800 _cell_length_b 5.05917600 _cell_length_c 5.52807324 _cell_angle_alpha 84.34325453 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	13	13	# generated using pymatgen data_YbTaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05917600 _cell_length_b 5.58313800 _cell_length_c 5.52807324 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.65674547 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136	39,620	mp-1184112	-0.181006	0	Er2MgOs	0.052676	['Er', 'Mg', 'Os']	# generated using pymatgen data_Er2MgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95701794 _cell_length_b 4.95701794 _cell_length_c 4.95701794 _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_Er2MgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01028200 _cell_length_b 7.01028200 _cell_length_c 7.01028200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
137	5,862	mp-551131	-1.501035	0	Co2AsClO4	0	['As', 'Cl', 'Co', 'O']	# generated using pymatgen data_Co2AsClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71263200 _cell_length_b 4.99458800 _cell_length_c 6.95958971 _cell_angle_alpha 88.50540921 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	11	11	# generated using pymatgen data_Co2AsClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99458800 _cell_length_b 6.71263200 _cell_length_c 6.95958971 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.49459079 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
138	24,283	mp-1228329	-0.729637	0	Ba2PtAu	0.006256	['Au', 'Ba', 'Pt']	# generated using pymatgen data_Ba2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44637868 _cell_length_b 6.44637868 _cell_length_c 4.84685200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.11544761 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	38	38	# generated using pymatgen data_Ba2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50297000 _cell_length_b 12.08083000 _cell_length_c 4.84685200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139	31,902	mp-7121	-0.345447	0	Dy(AlSi)2	0.023948	['Dy', 'Al', 'Si']	# generated using pymatgen data_Dy(AlSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21513612 _cell_length_b 4.21513612 _cell_length_c 6.55666200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000195 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	164	164	# generated using pymatgen data_Dy(AlSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21513612 _cell_length_b 4.21513612 _cell_length_c 6.55666200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140	24,517	mp-1079307	-0.719393	0	Dy3(CoGe2)2	0.007275	['Co', 'Dy', 'Ge']	# generated using pymatgen data_Dy3(CoGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70432638 _cell_length_b 5.70432638 _cell_length_c 8.00740058 _cell_angle_alpha 73.56770493 _cell_angle_beta 73.56770493 _cell_angle_gamma 42.99322886 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	12	12	# generated using pymatgen data_Dy3(CoGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61505801 _cell_length_b 4.18065800 _cell_length_c 8.00740058 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.69986099 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
141	2,678	mp-1219582	-3.223603	5.4953	RbAlNiF6	0	['Al', 'F', 'Ni', 'Rb']	# generated using pymatgen data_RbAlNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15251844 _cell_length_b 7.15251844 _cell_length_c 7.15251844 _cell_angle_alpha 120.30071011 _cell_angle_beta 119.52020841 _cell_angle_gamma 90.15648464 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	74	74	# generated using pymatgen data_RbAlNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11998400 _cell_length_b 7.20432600 _cell_length_c 10.10136599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
142	44,684	mp-1207143	-0.20816	0	LaCd2Cu	0.076967	['Cd', 'Cu', 'La']	# generated using pymatgen data_LaCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05825866 _cell_length_b 5.05825866 _cell_length_c 5.05825866 _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_LaCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15345800 _cell_length_b 7.15345800 _cell_length_c 7.15345800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
143	27,252	mp-1225505	-0.386353	0	Er2InAg	0.011913	['Ag', 'Er', 'In']	# generated using pymatgen data_Er2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66906800 _cell_length_b 3.66906800 _cell_length_c 7.37895600 _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_Er2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66906800 _cell_length_b 3.66906800 _cell_length_c 7.37895600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
144	31,341	mp-2498	-0.029181	0	PrOs2	0.022335	['Pr', 'Os']	# generated using pymatgen data_PrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47059525 _cell_length_b 5.47059525 _cell_length_c 5.47059525 _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_PrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73659000 _cell_length_b 7.73659000 _cell_length_c 7.73659000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
145	25,706	mp-1217205	-1.524383	0	Ti5CuS10	0.009471	['Cu', 'S', 'Ti']	# generated using pymatgen data_Ti5CuS10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89328200 _cell_length_b 6.81035673 _cell_length_c 8.33334770 _cell_angle_alpha 107.92552878 _cell_angle_beta 110.63875203 _cell_angle_gamma 89.94005710 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	2	2	# generated using pymatgen data_Ti5CuS10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89328200 _cell_length_b 6.81035673 _cell_length_c 8.33334770 _cell_angle_alpha 107.92552878 _cell_angle_beta 110.63875203 _cell_angle_gamma 89.94005710 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
146	39,824	mp-25972	-2.389876	1.0953	MnPO4	0.052522	['Mn', 'O', 'P']	# generated using pymatgen data_MnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29690857 _cell_length_b 6.22656601 _cell_length_c 5.44837395 _cell_angle_alpha 77.04571076 _cell_angle_beta 56.26324962 _cell_angle_gamma 46.69103962 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...	43	43	# generated using pymatgen data_MnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51543800 _cell_length_b 9.39782200 _cell_length_c 11.16514400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
147	17,914	mp-755352	-3.167899	4.4196	Li2HfO3	0	['Li', 'Hf', 'O']	# generated using pymatgen data_Li2HfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26663162 _cell_length_b 5.26663162 _cell_length_c 5.41137379 _cell_angle_alpha 78.47069047 _cell_angle_beta 78.47069047 _cell_angle_gamma 117.83917274 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	15	15	# generated using pymatgen data_Li2HfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43769799 _cell_length_b 9.02114599 _cell_length_c 5.41137379 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.77807961 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148	39,460	mp-776331	-2.207413	0	Zr5N5O2	0.05133	['Zr', 'N', 'O']	# generated using pymatgen data_Zr5N5O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52583513 _cell_length_b 5.52583513 _cell_length_c 9.25826218 _cell_angle_alpha 75.04193980 _cell_angle_beta 75.04193980 _cell_angle_gamma 32.74625665 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	8	8	# generated using pymatgen data_Zr5N5O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.60348400 _cell_length_b 3.11537200 _cell_length_c 9.25826218 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.60606426 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
149	5,797	mp-27791	-3.112903	4.1268	SrBe3O4	0	['Be', 'O', 'Sr']	# generated using pymatgen data_SrBe3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62219227 _cell_length_b 4.62219227 _cell_length_c 8.98741200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000380 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	190	190	# generated using pymatgen data_SrBe3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62219227 _cell_length_b 4.62219227 _cell_length_c 8.98741200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
150	36,817	mp-20324	-2.195956	0	Ba2LuCu3O7	0.0403	['Ba', 'Cu', 'Lu', 'O']	# generated using pymatgen data_Ba2LuCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81890300 _cell_length_b 3.89846900 _cell_length_c 11.80187100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	47	47	# generated using pymatgen data_Ba2LuCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81890300 _cell_length_b 3.89846900 _cell_length_c 11.80187100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
151	33,444	mp-849493	-2.891395	3.702	Li2FeF4	0.028642	['F', 'Fe', 'Li']	# generated using pymatgen data_Li2FeF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37266900 _cell_length_b 5.63266500 _cell_length_c 5.86708683 _cell_angle_alpha 61.54574892 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	4	4	# generated using pymatgen data_Li2FeF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63266500 _cell_length_b 5.37266900 _cell_length_c 5.86708683 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.45425108 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
152	29,418	mp-753348	-1.426732	0.235	Fe(CoO2)2	0.016975	['Co', 'Fe', 'O']	# generated using pymatgen data_Fe(CoO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93989310 _cell_length_b 5.93989310 _cell_length_c 5.93989310 _cell_angle_alpha 60.86450801 _cell_angle_beta 88.64537120 _cell_angle_gamma 119.30660125 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	74	74	# generated using pymatgen data_Fe(CoO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00203832 _cell_length_b 6.01734011 _cell_length_c 8.30039000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
153	27,108	mp-1185443	-0.399021	0	LiYbPb2	0.01226	['Li', 'Pb', 'Yb']	# generated using pymatgen data_LiYbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32193454 _cell_length_b 5.32193454 _cell_length_c 5.32193454 _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_LiYbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52635200 _cell_length_b 7.52635200 _cell_length_c 7.52635200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
154	21,140	mp-1207880	-0.535804	0	USnRh2	0.001478	['Rh', 'Sn', 'U']	# generated using pymatgen data_USnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41804000 _cell_length_b 7.01680400 _cell_length_c 9.85251100 _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_USnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41804000 _cell_length_b 7.01680400 _cell_length_c 9.85251100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
155	870	mp-23177	-0.692099	2.4641	HgBr	0	['Hg', 'Br']	# generated using pymatgen data_HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66579404 _cell_length_b 6.66579404 _cell_length_c 6.66579404 _cell_angle_alpha 136.31053051 _cell_angle_beta 136.31053051 _cell_angle_gamma 63.50061387 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	139	139	# generated using pymatgen data_HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96058600 _cell_length_b 4.96058600 _cell_length_c 11.33650801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
156	39,614	mp-1183051	0.053216	0	AcLa3	0.053216	['Ac', 'La']	# generated using pymatgen data_AcLa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63804165 _cell_length_b 7.63804165 _cell_length_c 6.25778400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999695 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_AcLa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63804165 _cell_length_b 7.63804165 _cell_length_c 6.25778400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
157	10,540	mp-1079700	-0.754651	0	Dy6CoTe2	0	['Co', 'Dy', 'Te']	# generated using pymatgen data_Dy6CoTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35091429 _cell_length_b 8.35091429 _cell_length_c 3.89122400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000227 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	189	189	# generated using pymatgen data_Dy6CoTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35091429 _cell_length_b 8.35091429 _cell_length_c 3.89122400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
158	29,218	mp-1220417	-0.197017	0	Nb6PdRh	0.017379	['Nb', 'Pd', 'Rh']	# generated using pymatgen data_Nb6PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18900200 _cell_length_b 5.18900200 _cell_length_c 5.18900200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	200	200	# generated using pymatgen data_Nb6PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18900200 _cell_length_b 5.18900200 _cell_length_c 5.18900200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
159	4,828	mp-29562	-1.376332	0	Tl2MoCl6	0	['Cl', 'Mo', 'Tl']	# generated using pymatgen data_Tl2MoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11543452 _cell_length_b 7.11543452 _cell_length_c 7.11543452 _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_Tl2MoCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06274400 _cell_length_b 10.06274400 _cell_length_c 10.06274400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
160	11,470	mp-9274	-0.461998	1.4027	Rb3Sb2Au3	0	['Rb', 'Sb', 'Au']	# generated using pymatgen data_Rb3Sb2Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28966327 _cell_length_b 8.28966327 _cell_length_c 8.28966308 _cell_angle_alpha 47.35309048 _cell_angle_beta 47.35309048 _cell_angle_gamma 47.35308810 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	166	166	# generated using pymatgen data_Rb3Sb2Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65780812 _cell_length_b 6.65780812 _cell_length_c 22.03377898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
161	6,111	mp-1184689	-0.422468	0	Ho2NiRu	0	['Ho', 'Ni', 'Ru']	# generated using pymatgen data_Ho2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77485168 _cell_length_b 4.77485168 _cell_length_c 4.77485168 _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_Ho2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75266000 _cell_length_b 6.75266000 _cell_length_c 6.75266000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
162	31,628	mp-1187927	-0.364178	0	YbAlHg2	0.023466	['Al', 'Hg', 'Yb']	# generated using pymatgen data_YbAlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02314798 _cell_length_b 5.02314798 _cell_length_c 5.02314798 _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_YbAlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10380400 _cell_length_b 7.10380400 _cell_length_c 7.10380400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
163	34,808	mp-18881	-2.149664	0.0735	KCr4O8	0.032879	['Cr', 'K', 'O']	# generated using pymatgen data_KCr4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19296529 _cell_length_b 7.19296529 _cell_length_c 7.19296529 _cell_angle_alpha 92.50468430 _cell_angle_beta 92.50468430 _cell_angle_gamma 155.86686320 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	87	87	# generated using pymatgen data_KCr4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94763401 _cell_length_b 9.94763401 _cell_length_c 3.00735000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164	35,677	mp-1215267	-3.726962	0	ZrU4O10	0.036117	['O', 'U', 'Zr']	# generated using pymatgen data_ZrU4O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.61194877 _cell_length_b 15.61194877 _cell_length_c 15.61194846 _cell_angle_alpha 13.99654849 _cell_angle_beta 13.99654849 _cell_angle_gamma 13.99654689 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	166	166	# generated using pymatgen data_ZrU4O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80430220 _cell_length_b 3.80430220 _cell_length_c 46.37001535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
165	9,982	mp-972246	-0.404259	0	Tb2ReC2	0	['C', 'Re', 'Tb']	# generated using pymatgen data_Tb2ReC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15645300 _cell_length_b 6.59178900 _cell_length_c 9.90454000 _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_Tb2ReC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15645300 _cell_length_b 6.59178900 _cell_length_c 9.90454000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166	41,090	mp-1113274	-3.121153	0	Rb2CeAgF6	0.058826	['Ag', 'Ce', 'F', 'Rb']	# generated using pymatgen data_Rb2CeAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70261144 _cell_length_b 6.70261144 _cell_length_c 6.70261144 _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_Rb2CeAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47892400 _cell_length_b 9.47892400 _cell_length_c 9.47892400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
167	37,916	mp-755786	-1.721172	0.2082	Li5Fe3(NiO5)2	0.044943	['Fe', 'Li', 'Ni', 'O']	# generated using pymatgen data_Li5Fe3(NiO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16873781 _cell_length_b 5.09475180 _cell_length_c 7.82961565 _cell_angle_alpha 110.08357656 _cell_angle_beta 102.97698570 _cell_angle_gamma 98.50346752 _symmetry_Int_Tables_number 1 _chemical_formula_stru...	2	2	# generated using pymatgen data_Li5Fe3(NiO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09475180 _cell_length_b 5.16873781 _cell_length_c 7.73716478 _cell_angle_alpha 71.05795785 _cell_angle_beta 71.88144546 _cell_angle_gamma 81.49653248 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
168	14,782	mp-22957	-3.592471	6.2488	SrClF	0	['Sr', 'Cl', 'F']	# generated using pymatgen data_SrClF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18117600 _cell_length_b 4.18117600 _cell_length_c 7.01969000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...	129	129	# generated using pymatgen data_SrClF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18117600 _cell_length_b 4.18117600 _cell_length_c 7.01969000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
169	32,950	mp-776473	-2.688408	3.0655	VOF3	0.025669	['F', 'O', 'V']	# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46281000 _cell_length_b 5.52763180 _cell_length_c 10.89258904 _cell_angle_alpha 91.75705130 _cell_angle_beta 91.67764443 _cell_angle_gamma 118.34329524 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46281000 _cell_length_b 5.52763180 _cell_length_c 10.89258904 _cell_angle_alpha 91.75705130 _cell_angle_beta 91.67764443 _cell_angle_gamma 118.34329524 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
170	3,237	mp-1540553	-1.999396	1.6461	Rb2Ti(TeO4)3	0	['O', 'Rb', 'Te', 'Ti']	# generated using pymatgen data_Rb2Ti(TeO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23085508 _cell_length_b 7.27516287 _cell_length_c 7.23088270 _cell_angle_alpha 90.00000000 _cell_angle_beta 60.40599182 _cell_angle_gamma 120.20290077 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	166	166	# generated using pymatgen data_Rb2Ti(TeO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27517984 _cell_length_b 7.27517984 _cell_length_c 17.65739658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
171	704	mp-1186122	-0.05964	0	NaCd2Rh	0	['Cd', 'Na', 'Rh']	# generated using pymatgen data_NaCd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76500592 _cell_length_b 4.76500592 _cell_length_c 4.76500592 _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_NaCd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73873600 _cell_length_b 6.73873600 _cell_length_c 6.73873600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
172	7,281	mp-2463	-0.175061	0	LuFe2	0	['Lu', 'Fe']	# generated using pymatgen data_LuFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05312789 _cell_length_b 5.05312789 _cell_length_c 5.05312789 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...	227	227	# generated using pymatgen data_LuFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14620199 _cell_length_b 7.14620199 _cell_length_c 7.14620199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
173	5,286	mp-2133	-1.790896	0.7316	ZnO	0	['Zn', 'O']	# generated using pymatgen data_ZnO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28910296 _cell_length_b 3.28910296 _cell_length_c 5.30682100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn...	186	186	# generated using pymatgen data_ZnO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28910296 _cell_length_b 3.28910296 _cell_length_c 5.30682100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn...
174	23,262	mp-1227425	-0.718782	2.0872	BiBPbS4	0.004932	['B', 'Bi', 'Pb', 'S']	# generated using pymatgen data_BiBPbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13828788 _cell_length_b 6.32229900 _cell_length_c 9.40673388 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.65816915 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	4	4	# generated using pymatgen data_BiBPbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13828788 _cell_length_b 6.32229900 _cell_length_c 9.40673388 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.65816915 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
175	41,510	mp-1030504	-0.899977	1.1583	MoW3Se8	0.063224	['Mo', 'Se', 'W']	# generated using pymatgen data_MoW3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32132763 _cell_length_b 3.32132763 _cell_length_c 37.87051200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999271 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	156	156	# generated using pymatgen data_MoW3Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32132763 _cell_length_b 3.32132763 _cell_length_c 37.87051200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
176	15,927	mp-7650	-3.000575	3.4968	RbScO2	0	['Rb', 'Sc', 'O']	# generated using pymatgen data_RbScO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28499155 _cell_length_b 3.28499155 _cell_length_c 12.88091400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999087 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_RbScO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28499155 _cell_length_b 3.28499155 _cell_length_c 12.88091400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
177	23,558	mp-1112120	-2.44135	4.088	Cs2RbScCl6	0.00592	['Cl', 'Cs', 'Rb', 'Sc']	# generated using pymatgen data_Cs2RbScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98380690 _cell_length_b 7.98380690 _cell_length_c 7.98380690 _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_Cs2RbScCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29080800 _cell_length_b 11.29080800 _cell_length_c 11.29080800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
178	9,623	mp-1188827	-0.76631	0.8051	MgCu2SiSe4	0	['Cu', 'Mg', 'Se', 'Si']	# generated using pymatgen data_MgCu2SiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56238600 _cell_length_b 6.85209200 _cell_length_c 8.01150000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	31	31	# generated using pymatgen data_MgCu2SiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56238600 _cell_length_b 6.85209200 _cell_length_c 8.01150000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
179	43,097	mp-11660	-1.801066	1.0259	Hf3N4	0.069184	['Hf', 'N']	# generated using pymatgen data_Hf3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81544892 _cell_length_b 5.81544892 _cell_length_c 5.81544892 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	220	220	# generated using pymatgen data_Hf3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71510200 _cell_length_b 6.71510200 _cell_length_c 6.71510200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
180	8,107	mp-1189057	-0.908794	0	LuGePd2	0	['Ge', 'Lu', 'Pd']	# generated using pymatgen data_LuGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58133400 _cell_length_b 7.19786900 _cell_length_c 7.20564700 _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_LuGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58133400 _cell_length_b 7.19786900 _cell_length_c 7.20564700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
181	15,926	mp-758265	-2.106953	0	LiCu2F6	0	['Cu', 'F', 'Li']	# generated using pymatgen data_LiCu2F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67194100 _cell_length_b 4.67194100 _cell_length_c 9.06660600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	136	136	# generated using pymatgen data_LiCu2F6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67194100 _cell_length_b 4.67194100 _cell_length_c 9.06660600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
182	11,333	mp-30750	-0.535697	0	CeAl4Ni	0	['Ce', 'Al', 'Ni']	# generated using pymatgen data_CeAl4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06557407 _cell_length_b 8.06557407 _cell_length_c 6.59465200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.40380133 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_CeAl4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12011600 _cell_length_b 15.59610799 _cell_length_c 6.59465200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
183	30,515	mp-1069533	-1.975276	2.0914	Hf2SN2	0.020992	['Hf', 'N', 'S']	# generated using pymatgen data_Hf2SN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34501901 _cell_length_b 6.34501901 _cell_length_c 6.34501901 _cell_angle_alpha 147.87617353 _cell_angle_beta 141.78793596 _cell_angle_gamma 50.75575584 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	71	71	# generated using pymatgen data_Hf2SN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51102800 _cell_length_b 4.15367000 _cell_length_c 11.46545999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
184	21,225	mp-1224091	-0.479758	0	InCuTe2	0.001383	['Cu', 'In', 'Te']	# generated using pymatgen data_InCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46045500 _cell_length_b 4.46045500 _cell_length_c 6.29288300 _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_InCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46045500 _cell_length_b 4.46045500 _cell_length_c 6.29288300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
185	20,002	mp-1014219	-0.199203	0	HfZn	0.000045	['Hf', 'Zn']	# generated using pymatgen data_HfZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30356000 _cell_length_b 3.30356000 _cell_length_c 3.30356000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...	221	221	# generated using pymatgen data_HfZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30356000 _cell_length_b 3.30356000 _cell_length_c 3.30356000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
186	35,694	mp-1217066	-0.262511	0	Ti2Be3Ga	0.0368	['Be', 'Ga', 'Ti']	# generated using pymatgen data_Ti2Be3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65736164 _cell_length_b 4.65736164 _cell_length_c 4.71500047 _cell_angle_alpha 90.00000000 _cell_angle_beta 60.40356810 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	166	166	# generated using pymatgen data_Ti2Be3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65736164 _cell_length_b 4.65736164 _cell_length_c 11.61929484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
187	23,844	mp-491	-2.28369	0	La3Se4	0.0059	['La', 'Se']	# generated using pymatgen data_La3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87751949 _cell_length_b 7.87751949 _cell_length_c 7.87751949 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	220	220	# generated using pymatgen data_La3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.09617600 _cell_length_b 9.09617600 _cell_length_c 9.09617600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
188	37,239	mp-1222686	-1.302845	0	LiCuRu2(RhO4)2	0.042248	['Cu', 'Li', 'O', 'Rh', 'Ru']	# generated using pymatgen data_LiCuRu2(RhO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14588261 _cell_length_b 6.14588261 _cell_length_c 6.14588261 _cell_angle_alpha 125.16103615 _cell_angle_beta 118.74297299 _cell_angle_gamma 86.74627335 _symmetry_Int_Tables_number 1 _chemical_formula_str...	44	44	# generated using pymatgen data_LiCuRu2(RhO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66037800 _cell_length_b 6.26228200 _cell_length_c 8.93484400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
189	18,442	mp-864769	-0.269358	0	LiYb2Tl	0	['Li', 'Yb', 'Tl']	# generated using pymatgen data_LiYb2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43979934 _cell_length_b 5.43979934 _cell_length_c 5.43979934 _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_LiYb2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69303800 _cell_length_b 7.69303800 _cell_length_c 7.69303800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
190	10,157	mp-1213025	-0.986485	0	ErSbRh	0	['Er', 'Rh', 'Sb']	# generated using pymatgen data_ErSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50734400 _cell_length_b 7.17315900 _cell_length_c 7.89480500 _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_ErSbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50734400 _cell_length_b 7.17315900 _cell_length_c 7.89480500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191	4,759	mp-20381	-0.721542	0	HfGaPd	0	['Ga', 'Hf', 'Pd']	# generated using pymatgen data_HfGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20419758 _cell_length_b 7.20419758 _cell_length_c 6.94632000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999617 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	190	190	# generated using pymatgen data_HfGaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20419758 _cell_length_b 7.20419758 _cell_length_c 6.94632000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
192	18,387	mp-568182	-0.734934	0	Ce(CoAs)2	0	['As', 'Ce', 'Co']	# generated using pymatgen data_Ce(CoAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83614512 _cell_length_b 5.83614512 _cell_length_c 5.83614512 _cell_angle_alpha 139.52750647 _cell_angle_beta 139.52750647 _cell_angle_gamma 58.57142021 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Ce(CoAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03735000 _cell_length_b 4.03735000 _cell_length_c 10.18047000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
193	38,331	mp-23950	-0.376	5.135	K(BH)3	0.047474	['B', 'H', 'K']	# generated using pymatgen data_K(BH)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29314570 _cell_length_b 6.29314570 _cell_length_c 6.29314570 _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_K(BH)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89985200 _cell_length_b 8.89985200 _cell_length_c 8.89985200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194	36,467	mp-972176	-0.504297	0	Zr5Al3C	0.038036	['Al', 'C', 'Zr']	# generated using pymatgen data_Zr5Al3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33852433 _cell_length_b 8.33852433 _cell_length_c 5.62451100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000265 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	193	193	# generated using pymatgen data_Zr5Al3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33852433 _cell_length_b 8.33852433 _cell_length_c 5.62451100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
195	2,610	mp-1188586	-0.636324	0	Pr2Ge5Ru3	0	['Ge', 'Pr', 'Ru']	# generated using pymatgen data_Pr2Ge5Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55455860 _cell_length_b 8.55455860 _cell_length_c 8.55455860 _cell_angle_alpha 139.66109337 _cell_angle_beta 108.38194242 _cell_angle_gamma 85.55058445 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	72	72	# generated using pymatgen data_Pr2Ge5Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89918600 _cell_length_b 10.01029600 _cell_length_c 12.55848199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
196	32,123	mp-1187338	0.024898	0	TbHo3	0.024898	['Ho', 'Tb']	# generated using pymatgen data_TbHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99063400 _cell_length_b 4.99063400 _cell_length_c 4.99063400 _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_TbHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99063400 _cell_length_b 4.99063400 _cell_length_c 4.99063400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
197	17,310	mp-29976	-1.163867	2.6404	Na3BS3	0	['B', 'Na', 'S']	# generated using pymatgen data_Na3BS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83143939 _cell_length_b 6.83143939 _cell_length_c 8.44995169 _cell_angle_alpha 65.82252828 _cell_angle_beta 65.82252828 _cell_angle_gamma 58.69666747 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	15	15	# generated using pymatgen data_Na3BS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90933201 _cell_length_b 6.69642200 _cell_length_c 8.44995169 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.02580605 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
198	36,808	mp-1651584	-2.079758	3.869	LiFePH2O5	0.040876	['Fe', 'H', 'Li', 'O', 'P']	# generated using pymatgen data_LiFePH2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80716312 _cell_length_b 5.75962113 _cell_length_c 8.40097100 _cell_angle_alpha 103.21941717 _cell_angle_beta 90.00495601 _cell_angle_gamma 90.03583807 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	4	4	# generated using pymatgen data_LiFePH2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75962113 _cell_length_b 4.80716312 _cell_length_c 8.40097100 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.21941717 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
199	12,091	mp-1113712	-2.171835	0	Rb2AgPdF6	0	['Ag', 'F', 'Pd', 'Rb']	# generated using pymatgen data_Rb2AgPdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25341620 _cell_length_b 6.25341620 _cell_length_c 6.25341620 _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_Rb2AgPdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84366600 _cell_length_b 8.84366600 _cell_length_c 8.84366600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

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