Datasets:

chaitjo
/

MP20_ADiT

Unnamed: 0.1 int64 0 27.1k	Unnamed: 0 int64 0 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 689 1.73k	spacegroup.number int64 1 229	spacegroup.number.conv int64 1 229	cif.conv stringlengths 696 5.07k
0	37,228	mp-1221227	-1.63746	0.2133	Na3MnCoNiO6	0.043001	['Co', 'Mn', 'Na', 'Ni', 'O']	# generated using pymatgen data_Na3MnCoNiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97762755 _cell_length_b 7.97762755 _cell_length_c 5.63711369 _cell_angle_alpha 72.48857871 _cell_angle_beta 72.48857871 _cell_angle_gamma 21.88936910 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	8	8	# generated using pymatgen data_Na3MnCoNiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.66504401 _cell_length_b 3.02928400 _cell_length_c 5.63711369 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.84664338 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1	19,480	mp-974729	-0.314759	0	Nd(Al2Cu)4	0	['Al', 'Cu', 'Nd']	# generated using pymatgen data_Nd(Al2Cu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80986360 _cell_length_b 6.80986360 _cell_length_c 6.80986360 _cell_angle_alpha 98.37904047 _cell_angle_beta 98.37904047 _cell_angle_gamma 135.11768988 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Nd(Al2Cu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90129600 _cell_length_b 8.90129600 _cell_length_c 5.19911800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2	29,624	mp-1185360	-0.193761	0	LiMnIr2	0.018075	['Ir', 'Li', 'Mn']	# generated using pymatgen data_LiMnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16442336 _cell_length_b 4.16442336 _cell_length_c 4.16442336 _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_LiMnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88938400 _cell_length_b 5.88938400 _cell_length_c 5.88938400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
3	38,633	mp-1188861	-0.584694	3.8556	LiCSN	0.048847	['C', 'Li', 'N', 'S']	# generated using pymatgen data_LiCSN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85878300 _cell_length_b 5.34539600 _cell_length_c 12.34309100 _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_LiCSN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85878300 _cell_length_b 5.34539600 _cell_length_c 12.34309100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4	10,889	mp-677272	-2.474759	0.4707	La2EuS4	0	['Eu', 'La', 'S']	# generated using pymatgen data_La2EuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58418904 _cell_length_b 7.58418904 _cell_length_c 7.58418904 _cell_angle_alpha 109.26701102 _cell_angle_beta 109.26701102 _cell_angle_gamma 109.88041642 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	122	122	# generated using pymatgen data_La2EuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77952400 _cell_length_b 8.77952400 _cell_length_c 8.71318600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5	6,575	mp-1104517	-0.641076	0	Yb3Ga9Pt2	0	['Ga', 'Pt', 'Yb']	# generated using pymatgen data_Yb3Ga9Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15825496 _cell_length_b 8.15825496 _cell_length_c 8.15825496 _cell_angle_alpha 149.44334390 _cell_angle_beta 106.91890144 _cell_angle_gamma 81.24876497 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	71	71	# generated using pymatgen data_Yb3Ga9Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29953400 _cell_length_b 9.71471200 _cell_length_c 12.38413800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
6	25,897	mp-561310	-2.160561	4.3134	NaLiCO3	0.009368	['C', 'Li', 'Na', 'O']	# generated using pymatgen data_NaLiCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41836170 _cell_length_b 8.41836170 _cell_length_c 3.40376100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999762 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_NaLiCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41836170 _cell_length_b 8.41836170 _cell_length_c 3.40376100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7	34,946	mp-777964	-1.697508	0	Na2BiO3	0.033273	['Bi', 'Na', 'O']	# generated using pymatgen data_Na2BiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98276482 _cell_length_b 5.98276482 _cell_length_c 5.95252810 _cell_angle_alpha 80.19609968 _cell_angle_beta 80.19609968 _cell_angle_gamma 119.79711733 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_Na2BiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00110200 _cell_length_b 10.35184401 _cell_length_c 5.95252810 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.84717885 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
8	22,517	mp-1078776	-0.73661	1.4018	InBiS3	0.003336	['Bi', 'In', 'S']	# generated using pymatgen data_InBiS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93575700 _cell_length_b 6.67033000 _cell_length_c 9.94385815 _cell_angle_alpha 88.66672546 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	11	11	# generated using pymatgen data_InBiS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67033000 _cell_length_b 3.93575700 _cell_length_c 9.94385815 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.33327454 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9	8,161	mp-1217581	-0.521304	0	TbAlNi4	0	['Al', 'Ni', 'Tb']	# generated using pymatgen data_TbAlNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89161618 _cell_length_b 4.89161618 _cell_length_c 4.00442400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.33985884 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	65	65	# generated using pymatgen data_TbAlNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01384400 _cell_length_b 8.40077400 _cell_length_c 4.00442400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
10	25,779	mp-1226849	-0.521159	0.5664	CdIn3Te4As	0.009405	['As', 'Cd', 'In', 'Te']	# generated using pymatgen data_CdIn3Te4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39789338 _cell_length_b 7.86179184 _cell_length_c 7.75471327 _cell_angle_alpha 100.12584288 _cell_angle_beta 114.19208370 _cell_angle_gamma 65.68166638 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	1	1	# generated using pymatgen data_CdIn3Te4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39789338 _cell_length_b 7.75471327 _cell_length_c 7.83032765 _cell_angle_alpha 80.89095579 _cell_angle_beta 113.80374814 _cell_angle_gamma 114.19208370 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
11	6,623	mp-1188441	-0.08503	0	TiCu4	0	['Cu', 'Ti']	# generated using pymatgen data_TiCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33620500 _cell_length_b 4.49819700 _cell_length_c 13.03164300 _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_TiCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33620500 _cell_length_b 4.49819700 _cell_length_c 13.03164300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12	13,769	mp-2400	-1.078382	1.2566	NaS	0	['Na', 'S']	# generated using pymatgen data_NaS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51430988 _cell_length_b 4.51430988 _cell_length_c 10.28414900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999822 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...	194	194	# generated using pymatgen data_NaS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51430988 _cell_length_b 4.51430988 _cell_length_c 10.28414900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
13	36,398	mp-755297	-1.742646	2.5515	Li2CoO2	0.039063	['Co', 'Li', 'O']	# generated using pymatgen data_Li2CoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15302050 _cell_length_b 3.15302050 _cell_length_c 5.12425300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001056 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	164	164	# generated using pymatgen data_Li2CoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15302050 _cell_length_b 3.15302050 _cell_length_c 5.12425300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14	43,580	mp-1112148	-1.157469	1.4011	Cs2NaMoI6	0.071358	['Cs', 'I', 'Mo', 'Na']	# generated using pymatgen data_Cs2NaMoI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51144998 _cell_length_b 8.51144998 _cell_length_c 8.51144998 _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_Cs2NaMoI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.03700800 _cell_length_b 12.03700800 _cell_length_c 12.03700800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
15	44,826	mp-20950	-1.000601	0	Nd(SiPt)2	0.076362	['Nd', 'Si', 'Pt']	# generated using pymatgen data_Nd(SiPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82843910 _cell_length_b 5.82843910 _cell_length_c 5.82843910 _cell_angle_alpha 137.21871120 _cell_angle_beta 137.21871120 _cell_angle_gamma 62.10171091 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Nd(SiPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25155200 _cell_length_b 4.25155200 _cell_length_c 9.98656200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
16	6,502	mp-1019278	-0.835395	0	TbGeAu	0	['Au', 'Ge', 'Tb']	# generated using pymatgen data_TbGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48471018 _cell_length_b 4.48471018 _cell_length_c 7.38158900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000270 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	186	186	# generated using pymatgen data_TbGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48471018 _cell_length_b 4.48471018 _cell_length_c 7.38158900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
17	10,841	mp-547792	-2.053321	2.6838	KSbO3	0	['K', 'O', 'Sb']	# generated using pymatgen data_KSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97041255 _cell_length_b 6.97041255 _cell_length_c 6.97041317 _cell_angle_alpha 46.25064804 _cell_angle_beta 46.25064804 _cell_angle_gamma 46.25064605 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	148	148	# generated using pymatgen data_KSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47517024 _cell_length_b 5.47517024 _cell_length_c 18.63725881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
18	39,799	mp-16341	-0.275064	0	Li2HgGe	0.052238	['Li', 'Hg', 'Ge']	# generated using pymatgen data_Li2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57798608 _cell_length_b 4.57798608 _cell_length_c 4.57798608 _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_Li2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47425000 _cell_length_b 6.47425000 _cell_length_c 6.47425000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
19	32,670	mp-1215947	-0.507097	0	YLu(BIr)8	0.026723	['B', 'Ir', 'Lu', 'Y']	# generated using pymatgen data_YLu(BIr)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39752700 _cell_length_b 5.39752700 _cell_length_c 7.45430100 _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_YLu(BIr)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39752700 _cell_length_b 5.39752700 _cell_length_c 7.45430100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
20	34,263	mp-1224950	-0.229693	0	FeCoSb4	0.030465	['Co', 'Fe', 'Sb']	# generated using pymatgen data_FeCoSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27083900 _cell_length_b 5.74183700 _cell_length_c 6.47423013 _cell_angle_alpha 89.86441176 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	10	10	# generated using pymatgen data_FeCoSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74183700 _cell_length_b 3.27083900 _cell_length_c 6.47423013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.13558824 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
21	8,456	mp-867272	-0.221279	0	LiAlCu2	0	['Li', 'Al', 'Cu']	# generated using pymatgen data_LiAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15647407 _cell_length_b 4.15647407 _cell_length_c 4.15647407 _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_LiAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87814200 _cell_length_b 5.87814200 _cell_length_c 5.87814200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22	23,601	mp-1185774	-0.034071	0	Mg2Sc	0.005373	['Mg', 'Sc']	# generated using pymatgen data_Mg2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45343521 _cell_length_b 8.45343521 _cell_length_c 5.17871400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.76735609 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	63	63	# generated using pymatgen data_Mg2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25967000 _cell_length_b 16.58966000 _cell_length_c 5.17871400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23	25,953	mp-776164	-2.821977	3.0526	LiFeF4	0.009247	['F', 'Fe', 'Li']	# generated using pymatgen data_LiFeF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77274800 _cell_length_b 5.64939900 _cell_length_c 5.65908464 _cell_angle_alpha 65.36232642 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	14	14	# generated using pymatgen data_LiFeF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64939900 _cell_length_b 4.77274800 _cell_length_c 5.65908464 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.63767358 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24	17,826	mp-30875	-0.333133	0.0452	Ti2Sn	0	['Ti', 'Sn']	# generated using pymatgen data_Ti2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75322646 _cell_length_b 4.75322646 _cell_length_c 5.64179400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000644 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_Ti2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75322646 _cell_length_b 4.75322646 _cell_length_c 5.64179400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25	11,244	mp-15822	-0.699879	0	LiSmGe	0	['Ge', 'Li', 'Sm']	# generated using pymatgen data_LiSmGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22309545 _cell_length_b 7.22309545 _cell_length_c 4.33438400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999500 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	189	189	# generated using pymatgen data_LiSmGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22309545 _cell_length_b 7.22309545 _cell_length_c 4.33438400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26	40,065	mp-1111567	-3.297337	4.7378	K2ScTlF6	0.054022	['F', 'K', 'Sc', 'Tl']	# generated using pymatgen data_K2ScTlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60952649 _cell_length_b 6.60952649 _cell_length_c 6.60952649 _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_K2ScTlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34728200 _cell_length_b 9.34728200 _cell_length_c 9.34728200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
27	41,855	mp-684705	-2.826178	1.3135	CaLaMnMoO6	0.063149	['Ca', 'La', 'Mn', 'Mo', 'O']	# generated using pymatgen data_CaLaMnMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60984294 _cell_length_b 5.77462000 _cell_length_c 8.07235025 _cell_angle_alpha 89.99872078 _cell_angle_beta 90.72030227 _cell_angle_gamma 90.00005527 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	7	7	# generated using pymatgen data_CaLaMnMoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60984294 _cell_length_b 5.77462000 _cell_length_c 9.77213395 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.31072381 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
28	11,793	mp-2832	-0.810392	0	Cr2Se3	0	['Cr', 'Se']	# generated using pymatgen data_Cr2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94430285 _cell_length_b 6.94430285 _cell_length_c 6.94430231 _cell_angle_alpha 54.49979547 _cell_angle_beta 54.49979547 _cell_angle_gamma 54.49979337 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	148	148	# generated using pymatgen data_Cr2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35920799 _cell_length_b 6.35920799 _cell_length_c 17.68308450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
29	8,957	mp-865364	-0.362179	0	DyTaRu2	0	['Dy', 'Ta', 'Ru']	# generated using pymatgen data_DyTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63105444 _cell_length_b 4.63105444 _cell_length_c 4.63105444 _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_DyTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54930000 _cell_length_b 6.54930000 _cell_length_c 6.54930000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
30	18,692	mp-12571	-0.630917	0	HfBeSi	0	['Hf', 'Be', 'Si']	# generated using pymatgen data_HfBeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70796845 _cell_length_b 3.70796845 _cell_length_c 7.13466800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000797 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_HfBeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70796845 _cell_length_b 3.70796845 _cell_length_c 7.13466800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
31	36,251	mp-1225679	-0.614645	0	ErGaNi	0.039164	['Er', 'Ga', 'Ni']	# generated using pymatgen data_ErGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17836800 _cell_length_b 5.26181399 _cell_length_c 5.69279526 _cell_angle_alpha 93.14931318 _cell_angle_beta 111.52992972 _cell_angle_gamma 66.60635141 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	12	12	# generated using pymatgen data_ErGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65857150 _cell_length_b 4.17836800 _cell_length_c 6.77695710 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.01497505 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
32	34,048	mp-1102038	-0.263293	2.9992	MgH2	0.031086	['H', 'Mg']	# generated using pymatgen data_MgH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82323400 _cell_length_b 4.82323400 _cell_length_c 4.82323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...	205	205	# generated using pymatgen data_MgH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82323400 _cell_length_b 4.82323400 _cell_length_c 4.82323400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
33	23,613	mp-1187002	-0.204186	0	Sm2MgCd	0.005349	['Cd', 'Mg', 'Sm']	# generated using pymatgen data_Sm2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41506899 _cell_length_b 5.41506899 _cell_length_c 5.41506899 _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_Sm2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65806401 _cell_length_b 7.65806401 _cell_length_c 7.65806401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
34	20,763	mp-15634	-3.299204	0	Cs2NaTiF6	0.000447	['Cs', 'F', 'Na', 'Ti']	# generated using pymatgen data_Cs2NaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.09355233 _cell_length_b 11.09355233 _cell_length_c 11.09355250 _cell_angle_alpha 33.45975831 _cell_angle_beta 33.45975831 _cell_angle_gamma 33.45976157 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	166	166	# generated using pymatgen data_Cs2NaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38677973 _cell_length_b 6.38677973 _cell_length_c 31.38836216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
35	39,802	mp-1667	-0.097637	0	Co2Ge	0.052239	['Co', 'Ge']	# generated using pymatgen data_Co2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00527980 _cell_length_b 4.00527980 _cell_length_c 5.01504900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999672 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	194	194	# generated using pymatgen data_Co2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00527980 _cell_length_b 4.00527980 _cell_length_c 5.01504900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36	8,830	mp-29337	-0.636772	1.4384	Tl3BS3	0	['B', 'S', 'Tl']	# generated using pymatgen data_Tl3BS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99077500 _cell_length_b 5.78985100 _cell_length_c 6.73770184 _cell_angle_alpha 81.83967598 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	11	11	# generated using pymatgen data_Tl3BS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78985100 _cell_length_b 9.99077500 _cell_length_c 6.73770184 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.16032402 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
37	37,554	mp-1102002	-0.417093	0.2624	FeTe2	0.04491	['Fe', 'Te']	# generated using pymatgen data_FeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27132600 _cell_length_b 6.27132600 _cell_length_c 6.27132600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...	205	205	# generated using pymatgen data_FeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27132600 _cell_length_b 6.27132600 _cell_length_c 6.27132600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural F...
38	38,813	mp-22592	-2.702763	0	CaTi4(CuO4)3	0.048858	['Ca', 'Cu', 'O', 'Ti']	# generated using pymatgen data_CaTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46060840 _cell_length_b 6.46060840 _cell_length_c 6.46060840 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_stru...	204	204	# generated using pymatgen data_CaTi4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46006800 _cell_length_b 7.46006800 _cell_length_c 7.46006800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
39	7,844	mp-4482	-2.060651	2.6801	NaSbO3	0	['Na', 'O', 'Sb']	# generated using pymatgen data_NaSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24692579 _cell_length_b 6.24692579 _cell_length_c 6.24692584 _cell_angle_alpha 51.04890383 _cell_angle_beta 51.04890383 _cell_angle_gamma 51.04890581 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	148	148	# generated using pymatgen data_NaSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38355391 _cell_length_b 5.38355391 _cell_length_c 16.25634587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
40	14,455	mp-867135	-0.788547	0	ScZnPd2	0	['Sc', 'Zn', 'Pd']	# generated using pymatgen data_ScZnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51476932 _cell_length_b 4.51476932 _cell_length_c 4.51476932 _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_ScZnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38484800 _cell_length_b 6.38484800 _cell_length_c 6.38484800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
41	20,717	mp-1225810	-0.284051	0	Cu2SiTe3	0.000505	['Cu', 'Si', 'Te']	# generated using pymatgen data_Cu2SiTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27816205 _cell_length_b 7.27816205 _cell_length_c 7.27816205 _cell_angle_alpha 146.02559477 _cell_angle_beta 131.79345016 _cell_angle_gamma 60.28180196 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	44	44	# generated using pymatgen data_Cu2SiTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25274800 _cell_length_b 5.94455000 _cell_length_c 12.58821000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
42	40,556	mp-1103663	-3.039155	3.5421	Sr3TaHO6	0.058114	['H', 'O', 'Sr', 'Ta']	# generated using pymatgen data_Sr3TaHO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05399511 _cell_length_b 6.05399511 _cell_length_c 6.25969646 _cell_angle_alpha 117.08201015 _cell_angle_beta 117.08201015 _cell_angle_gamma 91.16456280 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	8	8	# generated using pymatgen data_Sr3TaHO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47419173 _cell_length_b 8.64820800 _cell_length_c 6.25969646 _cell_angle_alpha 90.00000000 _cell_angle_beta 130.57830419 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
43	21,769	mp-1227942	-0.542095	0	BaGaGe	0.001695	['Ba', 'Ga', 'Ge']	# generated using pymatgen data_BaGaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40690416 _cell_length_b 4.40690416 _cell_length_c 5.10441900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000239 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	187	187	# generated using pymatgen data_BaGaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40690416 _cell_length_b 4.40690416 _cell_length_c 5.10441900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44	10,626	mp-1206487	-0.612906	0.1452	Yb(CdAs)2	0	['As', 'Cd', 'Yb']	# generated using pymatgen data_Yb(CdAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44173668 _cell_length_b 4.44173668 _cell_length_c 7.15215100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001015 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	164	164	# generated using pymatgen data_Yb(CdAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44173668 _cell_length_b 4.44173668 _cell_length_c 7.15215100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
45	18,677	mp-1224823	-0.384408	0	GaGePt6	0	['Ga', 'Ge', 'Pt']	# generated using pymatgen data_GaGePt6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60317003 _cell_length_b 5.60317003 _cell_length_c 5.60317003 _cell_angle_alpha 120.21843726 _cell_angle_beta 120.21843726 _cell_angle_gamma 89.62207013 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	121	121	# generated using pymatgen data_GaGePt6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58466000 _cell_length_b 5.58466000 _cell_length_c 7.95017000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
46	29,899	mp-643814	-2.079848	3.3636	Zn2SiH2O5	0.017628	['H', 'O', 'Si', 'Zn']	# generated using pymatgen data_Zn2SiH2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37699687 _cell_length_b 7.37699687 _cell_length_c 7.37699687 _cell_angle_alpha 138.95339175 _cell_angle_beta 109.49138800 _cell_angle_gamma 84.96059701 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	44	44	# generated using pymatgen data_Zn2SiH2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17257800 _cell_length_b 8.51610201 _cell_length_c 10.88121201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
47	22,392	mp-568529	-0.238061	0	PrMg2Ni9	0.002693	['Mg', 'Ni', 'Pr']	# generated using pymatgen data_PrMg2Ni9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36100213 _cell_length_b 8.36100213 _cell_length_c 8.36100225 _cell_angle_alpha 34.05280085 _cell_angle_beta 34.05280085 _cell_angle_gamma 34.05279534 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	166	166	# generated using pymatgen data_PrMg2Ni9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89640840 _cell_length_b 4.89640840 _cell_length_c 23.60577823 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
48	18,515	mp-10626	-1.010679	0	Yb(SiRh)2	0	['Yb', 'Si', 'Rh']	# generated using pymatgen data_Yb(SiRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75164700 _cell_length_b 5.75164700 _cell_length_c 5.75164700 _cell_angle_alpha 138.23623239 _cell_angle_beta 138.23623239 _cell_angle_gamma 60.54138976 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	139	139	# generated using pymatgen data_Yb(SiRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10026400 _cell_length_b 4.10026400 _cell_length_c 9.93486000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
49	33,430	mp-759676	-2.5379	0	V4O7F5	0.027527	['F', 'O', 'V']	# generated using pymatgen data_V4O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28666072 _cell_length_b 5.28666072 _cell_length_c 8.77785032 _cell_angle_alpha 75.06816131 _cell_angle_beta 75.06816131 _cell_angle_gamma 59.14546116 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	5	5	# generated using pymatgen data_V4O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19593399 _cell_length_b 5.21823000 _cell_length_c 8.77785032 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.23335434 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
50	35,434	mp-754736	-1.948739	3.1394	BaSr3I8	0.035569	['Ba', 'I', 'Sr']	# generated using pymatgen data_BaSr3I8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98925294 _cell_length_b 9.98925294 _cell_length_c 9.98925334 _cell_angle_alpha 131.88950878 _cell_angle_beta 131.88951506 _cell_angle_gamma 70.40358355 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	139	139	# generated using pymatgen data_BaSr3I8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14358450 _cell_length_b 8.14358450 _cell_length_c 16.32497401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
51	4,950	mp-862287	-0.868894	0	BeAlRh2	0	['Be', 'Al', 'Rh']	# generated using pymatgen data_BeAlRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11289649 _cell_length_b 4.11289649 _cell_length_c 4.11289649 _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_BeAlRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81651400 _cell_length_b 5.81651400 _cell_length_c 5.81651400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
52	9,109	mp-1185135	-1.031756	0	KBr3	0	['Br', 'K']	# generated using pymatgen data_KBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45091005 _cell_length_b 6.45091005 _cell_length_c 7.71553300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000055 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	194	194	# generated using pymatgen data_KBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45091005 _cell_length_b 6.45091005 _cell_length_c 7.71553300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
53	14,405	mp-676315	-1.387993	0.1961	Y2GeI2	0	['Ge', 'I', 'Y']	# generated using pymatgen data_Y2GeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01558905 _cell_length_b 11.01558905 _cell_length_c 11.01558957 _cell_angle_alpha 22.31521534 _cell_angle_beta 22.31521534 _cell_angle_gamma 22.31521375 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	166	166	# generated using pymatgen data_Y2GeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26322020 _cell_length_b 4.26322020 _cell_length_c 32.21123581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
54	3,854	mp-550220	-1.792285	1.6039	CoGeO3	0	['Co', 'Ge', 'O']	# generated using pymatgen data_CoGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19232247 _cell_length_b 6.69275904 _cell_length_c 6.68997542 _cell_angle_alpha 85.64142762 _cell_angle_beta 81.64779130 _cell_angle_gamma 81.38299526 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	5	5	# generated using pymatgen data_CoGeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81602422 _cell_length_b 9.09633211 _cell_length_c 5.19232247 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.60448939 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
55	32,391	mp-571044	-0.915204	0	CeSi2Ir3	0.02541	['Ce', 'Si', 'Ir']	# generated using pymatgen data_CeSi2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58174305 _cell_length_b 5.58174305 _cell_length_c 3.72460800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998869 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	191	191	# generated using pymatgen data_CeSi2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58174305 _cell_length_b 5.58174305 _cell_length_c 3.72460800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
56	43,434	mp-766870	-1.852288	0	Mn5O9F	0.069792	['F', 'Mn', 'O']	# generated using pymatgen data_Mn5O9F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07527745 _cell_length_b 5.11510827 _cell_length_c 7.92404417 _cell_angle_alpha 109.76943269 _cell_angle_beta 78.26181952 _cell_angle_gamma 80.14996462 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	1	1	# generated using pymatgen data_Mn5O9F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07527745 _cell_length_b 5.11510827 _cell_length_c 7.84447704 _cell_angle_alpha 71.91676734 _cell_angle_beta 71.51526351 _cell_angle_gamma 80.14996462 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
57	2,367	mp-552963	-3.261533	0.8289	Pr2Ti2S2O5	0	['O', 'Pr', 'S', 'Ti']	# generated using pymatgen data_Pr2Ti2S2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.02598015 _cell_length_b 12.02598015 _cell_length_c 12.02598015 _cell_angle_alpha 161.39048286 _cell_angle_beta 161.39048286 _cell_angle_gamma 26.43617744 _symmetry_Int_Tables_number 1 _chemical_formula_stru...	139	139	# generated using pymatgen data_Pr2Ti2S2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88886000 _cell_length_b 3.88886000 _cell_length_c 23.41474600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
58	28,013	mp-1025252	-1.974545	1.5642	Cs2MnCl4	0.013961	['Cs', 'Mn', 'Cl']	# generated using pymatgen data_Cs2MnCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30479919 _cell_length_b 9.30479919 _cell_length_c 9.30479919 _cell_angle_alpha 147.38676281 _cell_angle_beta 147.38676281 _cell_angle_gamma 46.79145607 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	139	139	# generated using pymatgen data_Cs2MnCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22515800 _cell_length_b 5.22515800 _cell_length_c 17.07959600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
59	8,897	mp-570668	-2.072924	0.282	LaSe2	0	['La', 'Se']	# generated using pymatgen data_LaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28006800 _cell_length_b 8.56277300 _cell_length_c 8.63809166 _cell_angle_alpha 89.78884712 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...	14	14	# generated using pymatgen data_LaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56277300 _cell_length_b 4.28006800 _cell_length_c 8.63809166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21115288 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
60	41,974	mp-973935	0.061308	0	OsN2	0.061308	['Os', 'N']	# generated using pymatgen data_OsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82418889 _cell_length_b 2.82418889 _cell_length_c 4.96432300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99997393 _symmetry_Int_Tables_number 1 _chemical_formula_structural O...	191	191	# generated using pymatgen data_OsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82418889 _cell_length_b 2.82418889 _cell_length_c 4.96432300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural O...