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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
800 | 36,932 | mp-755453 | -0.320923 | 0 | MnP4 | 0.040292 | ['Mn', 'P'] | # generated using pymatgen
data_MnP4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88903339
_cell_length_b 5.88903339
_cell_length_c 11.08526824
_cell_angle_alpha 88.73074475
_cell_angle_beta 88.73074475
_cell_angle_gamma 128.43294604
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_MnP4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12313200
_cell_length_b 10.60548799
_cell_length_c 11.08526824
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.91903837
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
801 | 3,902 | mp-7432 | -0.583173 | 0 | Sr(CdSb)2 | 0 | ['Sr', 'Cd', 'Sb'] | # generated using pymatgen
data_Sr(CdSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79721383
_cell_length_b 4.79721383
_cell_length_c 7.90558600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999771
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Sr(CdSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79721383
_cell_length_b 4.79721383
_cell_length_c 7.90558600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
802 | 5,453 | mp-861875 | -0.207252 | 0 | LiHf2Re | 0 | ['Li', 'Hf', 'Re'] | # generated using pymatgen
data_LiHf2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64348821
_cell_length_b 4.64348821
_cell_length_c 4.64348821
_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_LiHf2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56688400
_cell_length_b 6.56688400
_cell_length_c 6.56688400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
803 | 24,766 | mp-1229031 | -0.055625 | 0 | AgPd2Au | 0.006948 | ['Ag', 'Au', 'Pd'] | # generated using pymatgen
data_AgPd2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.46987424
_cell_length_b 9.46987424
_cell_length_c 9.46987397
_cell_angle_alpha 17.46091703
_cell_angle_beta 17.46091703
_cell_angle_gamma 17.46091682
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_AgPd2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87479400
_cell_length_b 2.87479400
_cell_length_c 27.96986461
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
804 | 31,220 | mp-1219667 | -0.345922 | 0 | PuGa | 0.021695 | ['Ga', 'Pu'] | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08814227
_cell_length_b 3.08814227
_cell_length_c 4.50750543
_cell_angle_alpha 89.94446009
_cell_angle_beta 90.05553991
_cell_angle_gamma 90.16556878
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... | 123 | 123 | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08814227
_cell_length_b 3.08814227
_cell_length_c 4.50750543
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... |
805 | 5,564 | mp-1101049 | -1.600158 | 0 | Ti5TlS8 | 0 | ['S', 'Ti', 'Tl'] | # generated using pymatgen
data_Ti5TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51277490
_cell_length_b 8.83031792
_cell_length_c 9.10345657
_cell_angle_alpha 104.05356426
_cell_angle_beta 101.04141887
_cell_angle_gamma 90.25229279
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Ti5TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.86990347
_cell_length_b 3.51277490
_cell_length_c 8.83031792
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.37539999
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
806 | 8,779 | mp-21003 | -0.419833 | 0 | Y2ReC2 | 0 | ['Y', 'Re', 'C'] | # generated using pymatgen
data_Y2ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12990000
_cell_length_b 6.59519800
_cell_length_c 9.90978200
_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_Y2ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12990000
_cell_length_b 6.59519800
_cell_length_c 9.90978200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
807 | 17,963 | mp-866181 | -0.315461 | 0 | Li2NdIn | 0 | ['Li', 'Nd', 'In'] | # generated using pymatgen
data_Li2NdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95466469
_cell_length_b 4.95466469
_cell_length_c 4.95466469
_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_Li2NdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00695400
_cell_length_b 7.00695400
_cell_length_c 7.00695400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
808 | 12,812 | mp-4093 | -1.867173 | 0 | Cu3(PO4)2 | 0 | ['Cu', 'O', 'P'] | # generated using pymatgen
data_Cu3(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90924900
_cell_length_b 5.61087891
_cell_length_c 6.25041956
_cell_angle_alpha 106.53278663
_cell_angle_beta 87.18385230
_cell_angle_gamma 112.39300060
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Cu3(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90924900
_cell_length_b 5.61087891
_cell_length_c 6.25041956
_cell_angle_alpha 106.53278663
_cell_angle_beta 87.18385230
_cell_angle_gamma 112.39300060
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
809 | 52 | mp-4595 | -0.462555 | 0 | VFe2Si | 0 | ['V', 'Fe', 'Si'] | # generated using pymatgen
data_VFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97839347
_cell_length_b 3.97839347
_cell_length_c 3.97839347
_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_VFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62629800
_cell_length_b 5.62629800
_cell_length_c 5.62629800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
810 | 11,360 | mp-4854 | -0.713555 | 0 | NdScGe | 0 | ['Nd', 'Sc', 'Ge'] | # generated using pymatgen
data_NdScGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57562587
_cell_length_b 8.57562587
_cell_length_c 8.57562587
_cell_angle_alpha 150.78276007
_cell_angle_beta 150.78276007
_cell_angle_gamma 41.79359653
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_NdScGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32580200
_cell_length_b 4.32580200
_cell_length_c 16.02311800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
811 | 6,725 | mp-1227831 | -2.03221 | 0.0447 | BaSr3(CoO3)4 | 0 | ['Ba', 'Co', 'O', 'Sr'] | # generated using pymatgen
data_BaSr3(CoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76676407
_cell_length_b 5.53623694
_cell_length_c 9.58456308
_cell_angle_alpha 90.01799443
_cell_angle_beta 90.01694311
_cell_angle_gamma 89.98825671
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 25 | 25 | # generated using pymatgen
data_BaSr3(CoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76676407
_cell_length_b 5.53623694
_cell_length_c 9.58456308
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
812 | 30,742 | mp-1224994 | -0.583755 | 0.3874 | GaCuTeSe | 0.020911 | ['Cu', 'Ga', 'Se', 'Te'] | # generated using pymatgen
data_GaCuTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16636762
_cell_length_b 7.16636762
_cell_length_c 7.16636762
_cell_angle_alpha 131.51594630
_cell_angle_beta 131.39337116
_cell_angle_gamma 71.09175582
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 24 | 24 | # generated using pymatgen
data_GaCuTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88490600
_cell_length_b 5.89888200
_cell_length_c 11.66183399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
813 | 28,543 | mp-1103515 | -2.191048 | 1.8873 | Na2U(TeO5)2 | 0.015429 | ['Na', 'O', 'Te', 'U'] | # generated using pymatgen
data_Na2U(TeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93485900
_cell_length_b 6.76732089
_cell_length_c 8.60818532
_cell_angle_alpha 91.54760307
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.90137130
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 12 | 12 | # generated using pymatgen
data_Na2U(TeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.95003494
_cell_length_b 3.93485900
_cell_length_c 8.60818532
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.61748509
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
814 | 4,661 | mp-1215353 | -0.674135 | 0 | Zr4GeSb7 | 0 | ['Ge', 'Sb', 'Zr'] | # generated using pymatgen
data_Zr4GeSb7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99310100
_cell_length_b 7.38083300
_cell_length_c 9.68274454
_cell_angle_alpha 89.55083032
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 6 | 6 | # generated using pymatgen
data_Zr4GeSb7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38083300
_cell_length_b 3.99310100
_cell_length_c 9.68274454
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.44916968
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
815 | 43,565 | mp-1111000 | -2.530314 | 3.4532 | Na3TlF6 | 0.072886 | ['F', 'Na', 'Tl'] | # generated using pymatgen
data_Na3TlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18874987
_cell_length_b 6.18874987
_cell_length_c 6.18874987
_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_Na3TlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75221400
_cell_length_b 8.75221400
_cell_length_c 8.75221400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
816 | 20,423 | mp-7818 | -0.254717 | 0 | Pd4Se | 0 | ['Pd', 'Se'] | # generated using pymatgen
data_Pd4Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31480700
_cell_length_b 5.31480700
_cell_length_c 5.76239700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 114 | 114 | # generated using pymatgen
data_Pd4Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31480700
_cell_length_b 5.31480700
_cell_length_c 5.76239700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
817 | 15,640 | mp-1205785 | -0.511297 | 0 | LuMn2SiC | 0 | ['C', 'Lu', 'Mn', 'Si'] | # generated using pymatgen
data_LuMn2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63652900
_cell_length_b 5.58296183
_cell_length_c 6.95767100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.00684271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_LuMn2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63652900
_cell_length_b 10.55715401
_cell_length_c 6.95767100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
818 | 4,332 | mp-3161 | -0.191266 | 0.1426 | LiAlSi | 0 | ['Li', 'Al', 'Si'] | # generated using pymatgen
data_LiAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19912109
_cell_length_b 4.19912109
_cell_length_c 4.19912109
_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_LiAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93845400
_cell_length_b 5.93845400
_cell_length_c 5.93845400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
819 | 13,001 | mp-1013527 | -0.268709 | 0.9116 | BeGeP2 | 0 | ['Be', 'Ge', 'P'] | # generated using pymatgen
data_BeGeP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39024244
_cell_length_b 6.39024244
_cell_length_c 6.39024244
_cell_angle_alpha 131.72324950
_cell_angle_beta 131.72324950
_cell_angle_gamma 70.66647698
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 122 | 122 | # generated using pymatgen
data_BeGeP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22647400
_cell_length_b 5.22647400
_cell_length_c 10.42634801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
820 | 30,066 | mp-1177394 | -2.202754 | 0.9579 | Li4Mn3CrO8 | 0.019303 | ['Cr', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li4Mn3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06259696
_cell_length_b 6.06259696
_cell_length_c 5.87615075
_cell_angle_alpha 61.66363899
_cell_angle_beta 61.66363899
_cell_angle_gamma 57.40132494
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li4Mn3CrO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63550001
_cell_length_b 5.82292600
_cell_length_c 5.87615075
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.76057913
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
821 | 32,480 | mp-984769 | -0.229057 | 0 | CaTl2Cd | 0.025357 | ['Ca', 'Cd', 'Tl'] | # generated using pymatgen
data_CaTl2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38682855
_cell_length_b 5.38682855
_cell_length_c 5.38682855
_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_CaTl2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61812599
_cell_length_b 7.61812599
_cell_length_c 7.61812599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
822 | 19,862 | mp-582736 | -0.809618 | 0 | Eu(MgSb)2 | 0 | ['Eu', 'Mg', 'Sb'] | # generated using pymatgen
data_Eu(MgSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74260353
_cell_length_b 4.74260353
_cell_length_c 7.73691800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999343
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Eu(MgSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74260353
_cell_length_b 4.74260353
_cell_length_c 7.73691800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
823 | 40,116 | mp-1185885 | -0.015624 | 0 | MgHg5 | 0.056138 | ['Hg', 'Mg'] | # generated using pymatgen
data_MgHg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70806000
_cell_length_b 3.70805986
_cell_length_c 13.15808600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000123
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_MgHg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70805993
_cell_length_b 3.70805993
_cell_length_c 13.15808600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
824 | 3,790 | mp-22460 | -0.254931 | 0 | LiIn | 0 | ['Li', 'In'] | # generated using pymatgen
data_LiIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87877375
_cell_length_b 4.87877375
_cell_length_c 4.87877375
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | 227 | 227 | # generated using pymatgen
data_LiIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89962800
_cell_length_b 6.89962800
_cell_length_c 6.89962800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... |
825 | 27,777 | mp-1228079 | -2.586679 | 0.5039 | Ba3Sr(SnO3)4 | 0.013409 | ['Ba', 'O', 'Sn', 'Sr'] | # generated using pymatgen
data_Ba3Sr(SnO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17137800
_cell_length_b 5.90105700
_cell_length_c 11.79914000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 47 | 47 | # generated using pymatgen
data_Ba3Sr(SnO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17137800
_cell_length_b 5.90105700
_cell_length_c 11.79914000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
826 | 45,206 | mp-762390 | -2.419178 | 1.2639 | LiV5O10 | 0.078866 | ['Li', 'O', 'V'] | # generated using pymatgen
data_LiV5O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11187700
_cell_length_b 5.14822253
_cell_length_c 7.81421273
_cell_angle_alpha 74.17476020
_cell_angle_beta 74.87321754
_cell_angle_gamma 78.96813037
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_LiV5O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11187700
_cell_length_b 5.14822253
_cell_length_c 7.81421273
_cell_angle_alpha 74.17476020
_cell_angle_beta 74.87321754
_cell_angle_gamma 78.96813037
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
827 | 23,982 | mp-976972 | -0.274456 | 0 | HoTmCu2 | 0.005682 | ['Cu', 'Ho', 'Tm'] | # generated using pymatgen
data_HoTmCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84804713
_cell_length_b 4.84804713
_cell_length_c 4.84804713
_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_HoTmCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85617400
_cell_length_b 6.85617400
_cell_length_c 6.85617400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
828 | 2,332 | mp-31057 | -1.078087 | 0 | Ho3InN | 0 | ['Ho', 'In', 'N'] | # generated using pymatgen
data_Ho3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78884900
_cell_length_b 4.78884900
_cell_length_c 4.78884900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_Ho3InN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78884900
_cell_length_b 4.78884900
_cell_length_c 4.78884900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
829 | 2,220 | mp-1225887 | -1.330438 | 2.5019 | CsLiZnS2 | 0 | ['Cs', 'Li', 'S', 'Zn'] | # generated using pymatgen
data_CsLiZnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70477095
_cell_length_b 7.70477095
_cell_length_c 7.70477095
_cell_angle_alpha 149.25198564
_cell_angle_beta 149.25198564
_cell_angle_gamma 44.04052760
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 119 | 119 | # generated using pymatgen
data_CsLiZnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08535800
_cell_length_b 4.08535800
_cell_length_c 14.28543600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
830 | 35,733 | mp-1221109 | -0.553138 | 0 | Nd4FeSn8 | 0.035862 | ['Fe', 'Nd', 'Sn'] | # generated using pymatgen
data_Nd4FeSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50488000
_cell_length_b 4.57085200
_cell_length_c 16.95985200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 25 | 25 | # generated using pymatgen
data_Nd4FeSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50488000
_cell_length_b 4.57085200
_cell_length_c 16.95985200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
831 | 16,694 | mp-1219387 | -0.302898 | 0 | Sm(GaFe)6 | 0 | ['Fe', 'Ga', 'Sm'] | # generated using pymatgen
data_Sm(GaFe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04576200
_cell_length_b 6.61647360
_cell_length_c 6.61647360
_cell_angle_alpha 97.79933262
_cell_angle_beta 112.41442402
_cell_angle_gamma 67.58557598
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Sm(GaFe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04576200
_cell_length_b 8.60100799
_cell_length_c 8.69906999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
832 | 32,069 | mp-1112967 | -2.489329 | 4.7867 | Cs3TmCl6 | 0.025161 | ['Cl', 'Cs', 'Tm'] | # generated using pymatgen
data_Cs3TmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.32896552
_cell_length_b 8.32896552
_cell_length_c 8.32896552
_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_Cs3TmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.77893600
_cell_length_b 11.77893600
_cell_length_c 11.77893600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
833 | 7,252 | mp-20785 | -0.43563 | 0 | Nd(FeGe)2 | 0 | ['Fe', 'Ge', 'Nd'] | # generated using pymatgen
data_Nd(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09589206
_cell_length_b 6.09589206
_cell_length_c 6.09589206
_cell_angle_alpha 141.36709584
_cell_angle_beta 141.36709584
_cell_angle_gamma 55.78332124
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Nd(FeGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03286400
_cell_length_b 4.03286400
_cell_length_c 10.77551001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
834 | 10,675 | mp-1225833 | -2.779014 | 2.2369 | CsZnFeF6 | 0 | ['Cs', 'F', 'Fe', 'Zn'] | # generated using pymatgen
data_CsZnFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52718641
_cell_length_b 7.52718641
_cell_length_c 7.52718641
_cell_angle_alpha 120.64953581
_cell_angle_beta 120.08738620
_cell_angle_gamma 89.36367999
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_CsZnFeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45316600
_cell_length_b 7.51724200
_cell_length_c 10.70399600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
835 | 5,455 | mp-862683 | -0.257895 | 0 | Ac2GaCu | 0 | ['Ac', 'Cu', 'Ga'] | # generated using pymatgen
data_Ac2GaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41845320
_cell_length_b 5.41845320
_cell_length_c 5.41845320
_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_Ac2GaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66285000
_cell_length_b 7.66285000
_cell_length_c 7.66285000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
836 | 7,880 | mp-567771 | -1.314463 | 3.2736 | Ba(Si3N4)2 | 0 | ['Ba', 'Si', 'N'] | # generated using pymatgen
data_Ba(Si3N4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64143072
_cell_length_b 6.64143072
_cell_length_c 6.64143072
_cell_angle_alpha 136.96818545
_cell_angle_beta 106.01822837
_cell_angle_gamma 89.60362125
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 44 | 44 | # generated using pymatgen
data_Ba(Si3N4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87161600
_cell_length_b 7.99213800
_cell_length_c 9.42483400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
837 | 14,819 | mp-30818 | -0.703323 | 0 | Li2AlPt | 0 | ['Li', 'Al', 'Pt'] | # generated using pymatgen
data_Li2AlPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28047656
_cell_length_b 4.28047656
_cell_length_c 4.28047656
_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_Li2AlPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05350800
_cell_length_b 6.05350800
_cell_length_c 6.05350800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
838 | 27,954 | mp-8762 | -2.974574 | 2.6707 | Er2S2O | 0.012811 | ['Er', 'O', 'S'] | # generated using pymatgen
data_Er2S2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84030900
_cell_length_b 6.82648800
_cell_length_c 8.22397988
_cell_angle_alpha 80.55966401
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_Er2S2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82648800
_cell_length_b 6.84030900
_cell_length_c 8.22397988
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.44033599
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
839 | 34,371 | mp-556584 | -3.805339 | 3.7268 | Pm2O3 | 0.030762 | ['O', 'Pm'] | # generated using pymatgen
data_Pm2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46748729
_cell_length_b 7.46748729
_cell_length_c 8.97328184
_cell_angle_alpha 80.02914984
_cell_angle_beta 80.02914984
_cell_angle_gamma 28.33184862
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 12 | 12 | # generated using pymatgen
data_Pm2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.48081800
_cell_length_b 3.65504800
_cell_length_c 8.97328184
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.28691262
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
840 | 23,699 | mp-1221415 | -1.427484 | 0 | Na(Ti3Se4)2 | 0.005471 | ['Na', 'Se', 'Ti'] | # generated using pymatgen
data_Na(Ti3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84664550
_cell_length_b 9.84664550
_cell_length_c 3.59549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999664
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 147 | 147 | # generated using pymatgen
data_Na(Ti3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84664550
_cell_length_b 9.84664550
_cell_length_c 3.59549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
841 | 40,616 | mp-1183083 | 0.057438 | 0 | Ac3Y | 0.057438 | ['Ac', 'Y'] | # generated using pymatgen
data_Ac3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75176240
_cell_length_b 6.75176240
_cell_length_c 6.75176240
_cell_angle_alpha 131.76859954
_cell_angle_beta 131.76859954
_cell_angle_gamma 70.59474519
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Ac3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51727800
_cell_length_b 5.51727800
_cell_length_c 11.02109200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
842 | 14,053 | mp-1095370 | -0.530847 | 0 | BiPdSe | 0 | ['Bi', 'Pd', 'Se'] | # generated using pymatgen
data_BiPdSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53689600
_cell_length_b 6.53689600
_cell_length_c 6.53689600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 198 | 198 | # generated using pymatgen
data_BiPdSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53689600
_cell_length_b 6.53689600
_cell_length_c 6.53689600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
843 | 35,384 | mp-570863 | -0.136587 | 0 | CrCoPt2 | 0.034141 | ['Co', 'Cr', 'Pt'] | # generated using pymatgen
data_CrCoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81692400
_cell_length_b 3.81692400
_cell_length_c 3.75551000
_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_CrCoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81692400
_cell_length_b 3.81692400
_cell_length_c 3.75551000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
844 | 3,388 | mp-5682 | -0.827619 | 0 | Th(SiNi)2 | 0 | ['Ni', 'Si', 'Th'] | # generated using pymatgen
data_Th(SiNi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57488343
_cell_length_b 5.57488343
_cell_length_c 5.57488343
_cell_angle_alpha 137.20164561
_cell_angle_beta 137.20164561
_cell_angle_gamma 62.12794243
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Th(SiNi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06814200
_cell_length_b 4.06814200
_cell_length_c 9.55079800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
845 | 42,038 | mp-1094322 | 0.06162 | 0 | MgTi5 | 0.065039 | ['Mg', 'Ti'] | # generated using pymatgen
data_MgTi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95874583
_cell_length_b 2.95874583
_cell_length_c 14.32339500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999614
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_MgTi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95874583
_cell_length_b 2.95874583
_cell_length_c 14.32339500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
846 | 11,574 | mp-1106351 | -0.334965 | 0 | Nd(As3Os)4 | 0 | ['As', 'Nd', 'Os'] | # generated using pymatgen
data_Nd(As3Os)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49385638
_cell_length_b 7.49385638
_cell_length_c 7.49385638
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 204 | 204 | # generated using pymatgen
data_Nd(As3Os)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65316000
_cell_length_b 8.65316000
_cell_length_c 8.65316000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
847 | 13,923 | mp-862925 | -0.816578 | 0 | PmInPt2 | 0 | ['In', 'Pm', 'Pt'] | # generated using pymatgen
data_PmInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89481234
_cell_length_b 4.89481234
_cell_length_c 4.89481234
_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_PmInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92231000
_cell_length_b 6.92231000
_cell_length_c 6.92231000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
848 | 3,973 | mp-8954 | -1.133138 | 0 | TaSe2 | 0 | ['Se', 'Ta'] | # generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.59547675
_cell_length_b 12.35322555
_cell_length_c 3.47549016
_cell_angle_alpha 85.96963334
_cell_angle_beta 78.05350047
_cell_angle_gamma 15.97686619
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 42 | 42 | # generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47424200
_cell_length_b 6.02044600
_cell_length_c 24.46095600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
849 | 18,320 | mp-30493 | -0.444146 | 0 | ZnCdPt2 | 0 | ['Zn', 'Cd', 'Pt'] | # generated using pymatgen
data_ZnCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95412800
_cell_length_b 2.95412800
_cell_length_c 7.38740800
_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_ZnCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95412800
_cell_length_b 2.95412800
_cell_length_c 7.38740800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
850 | 10,450 | mp-865426 | -0.367167 | 0 | YbNdAg2 | 0 | ['Yb', 'Nd', 'Ag'] | # generated using pymatgen
data_YbNdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24899082
_cell_length_b 5.24899082
_cell_length_c 5.24899082
_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_YbNdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42319401
_cell_length_b 7.42319401
_cell_length_c 7.42319401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
851 | 3,040 | mp-1080768 | -0.911438 | 0 | LuSnPd | 0 | ['Lu', 'Pd', 'Sn'] | # generated using pymatgen
data_LuSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61818771
_cell_length_b 7.61818771
_cell_length_c 3.79249800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999745
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_LuSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61818771
_cell_length_b 7.61818771
_cell_length_c 3.79249800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
852 | 34,129 | mp-1187373 | 0.031908 | 0 | TbPr3 | 0.031908 | ['Pr', 'Tb'] | # generated using pymatgen
data_TbPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37972224
_cell_length_b 7.37972224
_cell_length_c 6.05717100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000214
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_TbPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37972224
_cell_length_b 7.37972224
_cell_length_c 6.05717100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
853 | 35,959 | mp-85 | 0.036811 | 0 | In | 0.036811 | ['In'] | # generated using pymatgen
data_In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39132231
_cell_length_b 3.39132231
_cell_length_c 3.39132231
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In
_... | 225 | 225 | # generated using pymatgen
data_In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79605401
_cell_length_b 4.79605401
_cell_length_c 4.79605401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In
_... |
854 | 6,517 | mp-1070356 | -0.967251 | 0.7245 | Rb2Te2Pd | 0 | ['Pd', 'Rb', 'Te'] | # generated using pymatgen
data_Rb2Te2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09971642
_cell_length_b 7.09971642
_cell_length_c 7.09971642
_cell_angle_alpha 146.21329471
_cell_angle_beta 109.66100231
_cell_angle_gamma 80.35355795
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Rb2Te2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12623000
_cell_length_b 8.17883400
_cell_length_c 10.84918400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
855 | 33,616 | mp-1186140 | -0.357794 | 0 | NaInPd2 | 0.029241 | ['In', 'Na', 'Pd'] | # generated using pymatgen
data_NaInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65173449
_cell_length_b 4.65173449
_cell_length_c 4.65173449
_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_NaInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57854600
_cell_length_b 6.57854600
_cell_length_c 6.57854600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
856 | 13,544 | mp-1079260 | -0.745936 | 0.6561 | InSe | 0 | ['In', 'Se'] | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09647352
_cell_length_b 4.09647352
_cell_length_c 18.34344800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999231
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09647352
_cell_length_b 4.09647352
_cell_length_c 18.34344800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
857 | 22,026 | mp-1079988 | -0.638466 | 0 | La2Al2Ge | 0.002869 | ['Al', 'Ge', 'La'] | # generated using pymatgen
data_La2Al2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.73876166
_cell_length_b 13.73876166
_cell_length_c 4.59587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 162.69416336
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_La2Al2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13395200
_cell_length_b 27.16476999
_cell_length_c 4.59587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
858 | 30,564 | mp-1106279 | -0.746197 | 2.348 | BiI3 | 0.02019 | ['Bi', 'I'] | # generated using pymatgen
data_BiI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.27631200
_cell_length_b 8.03166700
_cell_length_c 9.12818286
_cell_angle_alpha 65.74395405
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 14 | 14 | # generated using pymatgen
data_BiI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03166700
_cell_length_b 13.27631200
_cell_length_c 9.12818286
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.25604595
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
859 | 18,758 | mp-22717 | -0.613734 | 0 | CaIn2Pd | 0 | ['Ca', 'In', 'Pd'] | # generated using pymatgen
data_CaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70682265
_cell_length_b 5.70682265
_cell_length_c 7.92415000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.43714288
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_CaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51121800
_cell_length_b 10.48428401
_cell_length_c 7.92415000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
860 | 24,689 | mp-1217942 | -0.686258 | 0 | TaNbTe4 | 0.007046 | ['Nb', 'Ta', 'Te'] | # generated using pymatgen
data_TaNbTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35455193
_cell_length_b 9.91943388
_cell_length_c 7.79135802
_cell_angle_alpha 69.65768170
_cell_angle_beta 76.52001498
_cell_angle_gamma 100.70486490
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_TaNbTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35455193
_cell_length_b 7.79135802
_cell_length_c 10.26483937
_cell_angle_alpha 64.96936393
_cell_angle_beta 69.11859974
_cell_angle_gamma 76.52001498
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
861 | 5,352 | mp-3822 | -2.70039 | 4.4424 | SrCO3 | 0 | ['Sr', 'C', 'O'] | # generated using pymatgen
data_SrCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16318600
_cell_length_b 6.13691100
_cell_length_c 8.51126900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 62 | 62 | # generated using pymatgen
data_SrCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16318600
_cell_length_b 6.13691100
_cell_length_c 8.51126900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
862 | 14,330 | mp-30650 | -0.136787 | 0 | Mg2Ga | 0 | ['Mg', 'Ga'] | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77751066
_cell_length_b 7.77751066
_cell_length_c 7.00749900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000561
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 190 | 190 | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77751066
_cell_length_b 7.77751066
_cell_length_c 7.00749900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
863 | 1,758 | mp-1975 | -2.002031 | 0.306 | TmN | 0 | ['Tm', 'N'] | # generated using pymatgen
data_TmN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40285522
_cell_length_b 3.40285522
_cell_length_c 3.40285522
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmN... | 225 | 225 | # generated using pymatgen
data_TmN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81236400
_cell_length_b 4.81236400
_cell_length_c 4.81236400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmN... |
864 | 10,533 | mp-1078693 | -1.956167 | 0.2897 | BaCdSbF | 0 | ['Ba', 'Cd', 'F', 'Sb'] | # generated using pymatgen
data_BaCdSbF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66269000
_cell_length_b 4.66269000
_cell_length_c 9.87284700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_BaCdSbF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66269000
_cell_length_b 4.66269000
_cell_length_c 9.87284700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
865 | 28,227 | mp-1222938 | -1.118907 | 0 | LaCePt2 | 0.014741 | ['Ce', 'La', 'Pt'] | # generated using pymatgen
data_LaCePt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94493826
_cell_length_b 5.94493826
_cell_length_c 4.49493800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 141.73237651
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_LaCePt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89721000
_cell_length_b 11.23302799
_cell_length_c 4.49493800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
866 | 9,758 | mp-19985 | -0.560671 | 1.4562 | TlIn(PSe3)2 | 0 | ['In', 'P', 'Se', 'Tl'] | # generated using pymatgen
data_TlIn(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60561700
_cell_length_b 8.12034636
_cell_length_c 12.40746630
_cell_angle_alpha 102.34000304
_cell_angle_beta 93.42531453
_cell_angle_gamma 111.73381447
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 2 | 2 | # generated using pymatgen
data_TlIn(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60561700
_cell_length_b 8.12034636
_cell_length_c 12.40746630
_cell_angle_alpha 102.34000304
_cell_angle_beta 93.42531453
_cell_angle_gamma 111.73381447
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
867 | 17,101 | mp-1181033 | -0.622062 | 0 | HoB2Ru | 0 | ['B', 'Ho', 'Ru'] | # generated using pymatgen
data_HoB2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30583900
_cell_length_b 5.90114200
_cell_length_c 6.34561500
_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_HoB2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30583900
_cell_length_b 5.90114200
_cell_length_c 6.34561500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
868 | 39,118 | mp-1176519 | -2.44385 | 1.6625 | LiVO2 | 0.049931 | ['Li', 'O', 'V'] | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95341413
_cell_length_b 10.51042819
_cell_length_c 5.16268449
_cell_angle_alpha 75.81315835
_cell_angle_beta 89.97684821
_cell_angle_gamma 81.93786104
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96339054
_cell_length_b 2.96339054
_cell_length_c 10.08285084
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
869 | 20,414 | mp-759764 | -2.484499 | 1.7426 | W(OF)2 | 0.000224 | ['F', 'O', 'W'] | # generated using pymatgen
data_W(OF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88852900
_cell_length_b 6.60865800
_cell_length_c 7.72072200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 26 | 26 | # generated using pymatgen
data_W(OF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88852900
_cell_length_b 6.60865800
_cell_length_c 7.72072200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
870 | 17,650 | mp-1207160 | -1.747992 | 0 | Rb2SbCl6 | 0 | ['Cl', 'Rb', 'Sb'] | # generated using pymatgen
data_Rb2SbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41354225
_cell_length_b 7.41354225
_cell_length_c 7.41354225
_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_Rb2SbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.48433200
_cell_length_b 10.48433200
_cell_length_c 10.48433200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
871 | 2,206 | mp-1220866 | -0.480885 | 0 | NaSn2Pd3 | 0 | ['Na', 'Pd', 'Sn'] | # generated using pymatgen
data_NaSn2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81748046
_cell_length_b 5.81748046
_cell_length_c 4.32890900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000526
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 183 | 183 | # generated using pymatgen
data_NaSn2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81748046
_cell_length_b 5.81748046
_cell_length_c 4.32890900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
872 | 28,449 | mp-862379 | -0.243528 | 0 | Sc2TcAg | 0.014367 | ['Sc', 'Tc', 'Ag'] | # generated using pymatgen
data_Sc2TcAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70118529
_cell_length_b 4.70118529
_cell_length_c 4.70118529
_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_Sc2TcAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64848000
_cell_length_b 6.64848000
_cell_length_c 6.64848000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
873 | 34,622 | mp-1184708 | -0.895299 | 1.5269 | GeBr2 | 0.032695 | ['Br', 'Ge'] | # generated using pymatgen
data_GeBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75479400
_cell_length_b 6.75479400
_cell_length_c 4.13004800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 136 | 136 | # generated using pymatgen
data_GeBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75479400
_cell_length_b 6.75479400
_cell_length_c 4.13004800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
874 | 15,312 | mp-31447 | -0.417283 | 0 | TbAgPb | 0 | ['Ag', 'Pb', 'Tb'] | # generated using pymatgen
data_TbAgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83676940
_cell_length_b 4.83676940
_cell_length_c 7.54055500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999180
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_TbAgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83676940
_cell_length_b 4.83676940
_cell_length_c 7.54055500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
875 | 399 | mp-865438 | -0.595421 | 0 | LuTlRh2 | 0 | ['Lu', 'Rh', 'Tl'] | # generated using pymatgen
data_LuTlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69202260
_cell_length_b 4.69202260
_cell_length_c 4.69202260
_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_LuTlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63552200
_cell_length_b 6.63552200
_cell_length_c 6.63552200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
876 | 27,028 | mp-1080508 | -0.955973 | 0 | La(GePt)2 | 0.012101 | ['Ge', 'La', 'Pt'] | # generated using pymatgen
data_La(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42720443
_cell_length_b 4.43811100
_cell_length_c 10.11557593
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.01525738
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 31 | 31 | # generated using pymatgen
data_La(GePt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42720443
_cell_length_b 4.43811100
_cell_length_c 10.11557593
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
877 | 31,452 | mp-781081 | -2.691685 | 3.1159 | VOF3 | 0.022392 | ['F', 'O', 'V'] | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40026800
_cell_length_b 5.52082100
_cell_length_c 5.58380628
_cell_angle_alpha 60.90652385
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | 4 | 4 | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52082100
_cell_length_b 5.40026800
_cell_length_c 5.58380628
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.09347615
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
878 | 27,100 | mp-1184973 | -0.465839 | 0.6976 | Li2TlSb | 0.012155 | ['Li', 'Sb', 'Tl'] | # generated using pymatgen
data_Li2TlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00473916
_cell_length_b 5.00473916
_cell_length_c 5.00473916
_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_Li2TlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07777000
_cell_length_b 7.07777000
_cell_length_c 7.07777000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
879 | 28,293 | mp-1522279 | -2.764966 | 1.6524 | BaCaLaBiO6 | 0.014085 | ['Ba', 'Bi', 'Ca', 'La', 'O'] | # generated using pymatgen
data_BaCaLaBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08492736
_cell_length_b 6.22193188
_cell_length_c 8.74403788
_cell_angle_alpha 90.48987801
_cell_angle_beta 89.46253627
_cell_angle_gamma 89.85308896
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_BaCaLaBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08492736
_cell_length_b 6.22193188
_cell_length_c 8.74403788
_cell_angle_alpha 90.48987801
_cell_angle_beta 90.53746373
_cell_angle_gamma 90.14691104
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
880 | 13,373 | mp-568264 | -0.765643 | 2.1817 | SiSe2 | 0 | ['Se', 'Si'] | # generated using pymatgen
data_SiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03824680
_cell_length_b 7.03824680
_cell_length_c 7.03824680
_cell_angle_alpha 130.15280481
_cell_angle_beta 124.09750027
_cell_angle_gamma 78.14525844
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 72 | 72 | # generated using pymatgen
data_SiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93196600
_cell_length_b 6.59793600
_cell_length_c 10.92825201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
881 | 38,819 | mp-23548 | -1.005087 | 0 | AgBiO3 | 0.048822 | ['Ag', 'Bi', 'O'] | # generated using pymatgen
data_AgBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30321629
_cell_length_b 6.30321629
_cell_length_c 6.30321649
_cell_angle_alpha 54.56053531
_cell_angle_beta 54.56053531
_cell_angle_gamma 54.56053190
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_AgBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77807622
_cell_length_b 5.77807622
_cell_length_c 16.04419930
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
882 | 20,877 | mp-568006 | -0.045819 | 0 | DyFe5 | 0.000402 | ['Dy', 'Fe'] | # generated using pymatgen
data_DyFe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00648955
_cell_length_b 5.00648955
_cell_length_c 3.95305900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999401
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_DyFe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00648955
_cell_length_b 5.00648955
_cell_length_c 3.95305900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
883 | 4,014 | mp-1018783 | -0.122693 | 0 | LiBeB | 0 | ['Li', 'Be', 'B'] | # generated using pymatgen
data_LiBeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00125200
_cell_length_b 3.70561000
_cell_length_c 5.69386775
_cell_angle_alpha 81.37647449
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 11 | 11 | # generated using pymatgen
data_LiBeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70561000
_cell_length_b 3.00125200
_cell_length_c 5.69386775
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.62352551
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
884 | 19,692 | mp-1226653 | -0.583683 | 0 | CePt2Au3 | 0 | ['Au', 'Ce', 'Pt'] | # generated using pymatgen
data_CePt2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47621314
_cell_length_b 5.47621314
_cell_length_c 5.47621314
_cell_angle_alpha 119.93285483
_cell_angle_beta 119.22054174
_cell_angle_gamma 90.73585007
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_CePt2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48177000
_cell_length_b 5.54060400
_cell_length_c 7.69464400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
885 | 11,158 | mp-1208858 | -2.857855 | 1.8842 | Sr2DyBiO6 | 0 | ['Bi', 'Dy', 'O', 'Sr'] | # generated using pymatgen
data_Sr2DyBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93815296
_cell_length_b 6.10078800
_cell_length_c 8.48832362
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.94245078
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2DyBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93815296
_cell_length_b 6.10078800
_cell_length_c 10.36409930
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.01400960
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
886 | 28,928 | mp-756979 | -1.579044 | 0.6579 | Rb3ClO | 0.01516 | ['Cl', 'O', 'Rb'] | # generated using pymatgen
data_Rb3ClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71887200
_cell_length_b 7.73794900
_cell_length_c 10.95886200
_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_Rb3ClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71887200
_cell_length_b 7.73794900
_cell_length_c 10.95886200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
887 | 6,087 | mp-1105394 | -3.104694 | 1.2898 | Sr2HoMoO6 | 0 | ['Ho', 'Mo', 'O', 'Sr'] | # generated using pymatgen
data_Sr2HoMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83566644
_cell_length_b 5.88605600
_cell_length_c 8.33335195
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.52104922
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2HoMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83566644
_cell_length_b 5.88605600
_cell_length_c 10.12991969
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.65273578
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
888 | 14,114 | mp-1185265 | -0.385154 | 0 | Li3Sn | 0 | ['Li', 'Sn'] | # generated using pymatgen
data_Li3Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64941801
_cell_length_b 4.64941801
_cell_length_c 4.64941801
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 225 | 225 | # generated using pymatgen
data_Li3Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57527001
_cell_length_b 6.57527001
_cell_length_c 6.57527001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
889 | 14,363 | mp-541753 | -1.466506 | 0 | Cs2WBr6 | 0 | ['Cs', 'W', 'Br'] | # generated using pymatgen
data_Cs2WBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87632243
_cell_length_b 7.87632243
_cell_length_c 7.87632243
_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_Cs2WBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.13880200
_cell_length_b 11.13880200
_cell_length_c 11.13880200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
890 | 41,576 | mp-1112173 | -1.296058 | 0 | KAuCl3 | 0.062613 | ['Au', 'Cl', 'K'] | # generated using pymatgen
data_KAuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13847500
_cell_length_b 5.13847500
_cell_length_c 5.13847500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_KAuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13847500
_cell_length_b 5.13847500
_cell_length_c 5.13847500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
891 | 33,937 | mp-759093 | -3.017922 | 3.63 | LiMnF3 | 0.029451 | ['F', 'Li', 'Mn'] | # generated using pymatgen
data_LiMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04817300
_cell_length_b 5.38545300
_cell_length_c 9.00696600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 52 | 52 | # generated using pymatgen
data_LiMnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04817300
_cell_length_b 5.38545300
_cell_length_c 9.00696600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
892 | 22,808 | mp-22691 | -0.742448 | 0.8635 | InSe | 0.003488 | ['In', 'Se'] | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.26979813
_cell_length_b 9.26979813
_cell_length_c 9.26979812
_cell_angle_alpha 25.52074285
_cell_angle_beta 25.52074285
_cell_angle_gamma 25.52073982
_symmetry_Int_Tables_number 1
_chemical_formula_structural In... | 160 | 160 | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09491424
_cell_length_b 4.09491424
_cell_length_c 26.88972752
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
893 | 34,508 | mp-1025113 | -0.795288 | 0 | DyInPt4 | 0.033566 | ['Dy', 'In', 'Pt'] | # generated using pymatgen
data_DyInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40711828
_cell_length_b 5.40711828
_cell_length_c 5.40711828
_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_DyInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64682000
_cell_length_b 7.64682000
_cell_length_c 7.64682000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
894 | 37,840 | mp-31433 | -0.299012 | 0 | LuNiSn4 | 0.043729 | ['Lu', 'Ni', 'Sn'] | # generated using pymatgen
data_LuNiSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.27533618
_cell_length_b 14.27533618
_cell_length_c 4.45063600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 162.12041693
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 65 | 65 | # generated using pymatgen
data_LuNiSn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43667400
_cell_length_b 28.20384399
_cell_length_c 4.45063600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
895 | 6,805 | mp-2283 | -0.291685 | 0 | ZrCo | 0 | ['Zr', 'Co'] | # generated using pymatgen
data_ZrCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19436800
_cell_length_b 3.19436800
_cell_length_c 3.19436800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 221 | 221 | # generated using pymatgen
data_ZrCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19436800
_cell_length_b 3.19436800
_cell_length_c 3.19436800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
896 | 6,670 | mp-1209950 | -1.373102 | 0 | NaYb(Pd3O4)2 | 0 | ['Na', 'O', 'Pd', 'Yb'] | # generated using pymatgen
data_NaYb(Pd3O4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78404000
_cell_length_b 5.78404000
_cell_length_c 5.78404000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 200 | 200 | # generated using pymatgen
data_NaYb(Pd3O4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78404000
_cell_length_b 5.78404000
_cell_length_c 5.78404000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
897 | 1,811 | mp-28567 | -2.930695 | 4.8768 | LiBiF4 | 0 | ['Li', 'Bi', 'F'] | # generated using pymatgen
data_LiBiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80311971
_cell_length_b 6.80311971
_cell_length_c 6.80311971
_cell_angle_alpha 133.54937854
_cell_angle_beta 133.54937854
_cell_angle_gamma 67.79268927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_LiBiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36559200
_cell_length_b 5.36559200
_cell_length_c 11.29383000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
898 | 17,814 | mp-28638 | -1.244338 | 0 | Gd2CCl | 0 | ['C', 'Cl', 'Gd'] | # generated using pymatgen
data_Gd2CCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20604208
_cell_length_b 7.20604208
_cell_length_c 7.20604200
_cell_angle_alpha 29.74501623
_cell_angle_beta 29.74501623
_cell_angle_gamma 29.74501389
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Gd2CCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69913613
_cell_length_b 3.69913613
_cell_length_c 20.64685335
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
899 | 23,683 | mp-1218915 | -0.551165 | 0.4023 | SnTe2Pb | 0.005789 | ['Pb', 'Sn', 'Te'] | # generated using pymatgen
data_SnTe2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58471900
_cell_length_b 4.58471900
_cell_length_c 6.50602400
_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_SnTe2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58471900
_cell_length_b 4.58471900
_cell_length_c 6.50602400
_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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