ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-567313 | mp-567313 | Te | # generated using pymatgen
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50673972
_cell_length_b 4.50673972
_cell_length_c 5.96212700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999583
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
... | # generated using pymatgen
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50673972
_cell_length_b 4.50673972
_cell_length_c 5.96212700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
... | [
[
3.900340109551696,
1.0503153387209165,
3.974751333333335
],
[
1.6469701075228604,
2.852635665043061,
1.987375666666668
],
[
-1.0405702130168835,
3.902951003763978,
5.962127000000001
]
] | [
[
4.506740004057672,
0,
1.2766555397287477e-15
],
[
-2.2533700020288356,
3.902951003763978,
2.7595821863441194e-16
],
[
0,
0,
5.962127
]
] | [
52,
52,
52
] | [
1,
1,
1
] | 0.000019 | 0.5789 | 0 | 154 | 154 | [
"Te"
] |
mp-1221677 | mp-1221677 | MnH6(NCl)2 | # generated using pymatgen
data_MnH6(NCl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86215794
_cell_length_b 5.86215794
_cell_length_c 3.82911084
_cell_angle_alpha 88.68909520
_cell_angle_beta 88.68909520
_cell_angle_gamma 90.23387337
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_MnH6(NCl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27340600
_cell_length_b 8.30724600
_cell_length_c 3.82911084
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.85785812
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.693526429066103,
5.855662015109411,
-0.10660857532502507
],
[
2.947212518612496,
4.670633048790385,
3.4314441211230173
],
[
0.7197434685013757,
2.3411067591023356,
1.1629922991873793
],
[
0.6583213568617674,
4.18577121880447,
3.748388434398509
],
[... | [
[
3.828108659289353,
0,
-0.08760089999181293
],
[
-0.13469483510539826,
5.860561444476994,
-0.023928443549859815
],
[
0,
0,
5.862157940000001
]
] | [
25,
1,
1,
1,
1,
1,
1,
7,
7,
17,
17
] | [
1,
1,
1
] | -0.786911 | 1.56 | 0 | 5 | 5 | [
"Cl",
"H",
"Mn",
"N"
] |
mp-1039075 | mp-1039075 | Mg3Bi | # generated using pymatgen
data_Mg3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56347158
_cell_length_b 6.56347158
_cell_length_c 5.32346600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999573
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56347158
_cell_length_b 6.56347158
_cell_length_c 5.32346600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3308665000000006,
1.8277615057486656,
0.0000031455208454281276
],
[
1.3308665000000017,
4.770255459062717,
-1.698846676707878
],
[
1.330866500000001,
4.770255459062717,
1.6988525291675634
],
[
3.9925995000000003,
0.9138779108076468,
4.98058204309467
... | [
[
5.323466,
0,
3.259682798634882e-16
],
[
2.176209510041184e-15,
5.6841333698703655,
-3.2817362136132093
],
[
0,
0,
6.563471580000001
]
] | [
12,
12,
12,
12,
12,
12,
83,
83
] | [
1,
1,
1
] | -0.073149 | 0 | 0.059045 | 194 | 194 | [
"Mg",
"Bi"
] |
mp-16431 | mp-16431 | Nd(FeP3)4 | # generated using pymatgen
data_Nd(FeP3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76454175
_cell_length_b 6.76454175
_cell_length_c 6.76454175
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Nd(FeP3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81102000
_cell_length_b 7.81102000
_cell_length_c 7.81102000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.4210662853715253e-17,
4.19340981382592e-17,
3.382270875
],
[
3.1888355626482277,
5.407437752331065e-16,
-1.1274236254998646
],
[
4.7832533439723415,
2.7616126051324033,
-3.382270875749798
],
[
1.5944177813241136,
2.761612605132... | [
[
6.377671125296456,
0,
-2.2548472509997297
],
[
-3.188835562648229,
5.523225210264806,
-2.254847249500136
],
[
0,
0,
6.76454175
]
] | [
60,
26,
26,
26,
26,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.594293 | 0 | 0 | 204 | 204 | [
"Fe",
"Nd",
"P"
] |
mp-902 | mp-902 | BaZn | # generated using pymatgen
data_BaZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12149200
_cell_length_b 4.12149200
_cell_length_c 4.12149200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | # generated using pymatgen
data_BaZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12149200
_cell_length_b 4.12149200
_cell_length_c 4.12149200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | [
[
0,
0,
0
],
[
2.060746,
2.060746,
2.0607460000000004
]
] | [
[
4.121492,
0,
2.5236859927557114e-16
],
[
-2.5236859927557114e-16,
4.121492,
2.5236859927557114e-16
],
[
0,
0,
4.121492
]
] | [
56,
30
] | [
1,
1,
1
] | -0.167381 | 0 | 0.00169 | 221 | 221 | [
"Ba",
"Zn"
] |
mp-1079254 | mp-1079254 | Co2As | # generated using pymatgen
data_Co2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98709443
_cell_length_b 5.98709443
_cell_length_c 3.53920200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000480
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Co2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98709443
_cell_length_b 5.98709443
_cell_length_c 3.53920200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5392020000000004,
1.32637898341842,
5.221309240954888
],
[
3.5392020000000013,
3.8585966370310505,
2.2277622380934616
],
[
3.4262434650718063e-32,
7.399530472430729e-17,
1.53157060032716
],
[
1.769601000000001,
3.0990651133182685,
4.197848525673961
]... | [
[
3.539202,
0,
2.1671362004179554e-16
],
[
1.985103536515218e-15,
5.18497562044947,
-2.993546780624492
],
[
0,
0,
5.987094430000001
]
] | [
27,
27,
27,
27,
27,
27,
33,
33,
33
] | [
1,
1,
1
] | -0.12902 | 0 | 0.07119 | 189 | 189 | [
"As",
"Co"
] |
mp-1105754 | mp-1105754 | Er3Ge3Ru2 | # generated using pymatgen
data_Er3Ge3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78031748
_cell_length_b 5.78031748
_cell_length_c 13.86009800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.90468755
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Er3Ge3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24593200
_cell_length_b 10.75269000
_cell_length_c 13.86009800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-6.169518703399207e-16,
0.8323227218018622,
8.506884629263999
],
[
2.1229659992695185,
4.544022276013952,
5.353213370736002
],
[
-6.169518703399207e-16,
0.8323227218018622,
12.283262370736
],
[
2.1229659992695185,
4.544022276013952,
1.5768356292640011
... | [
[
4.245931998539037,
0,
1.202774644724557e-15
],
[
-2.122965999269518,
5.376344997815814,
3.5394236499687474e-16
],
[
0,
0,
13.860098
]
] | [
68,
68,
68,
68,
68,
68,
32,
32,
32,
32,
32,
32,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.783579 | 0 | 0 | 63 | 63 | [
"Er",
"Ge",
"Ru"
] |
mp-4297 | mp-4297 | U(GePd)2 | # generated using pymatgen
data_U(GePd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06520770
_cell_length_b 6.06520770
_cell_length_c 6.06520770
_cell_angle_alpha 139.76246500
_cell_angle_beta 139.76246500
_cell_angle_gamma 58.21413973
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_U(GePd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17246600
_cell_length_b 4.17246600
_cell_length_c 10.59849200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.0844572302718687,
2.3857480933329884,
-0.3749366601747888
],
[
1.3076729805211178,
1.4966861755059475,
3.5697607907506597
],
[
2.8069670250691963,
0.9706085672097342,
1.597412065283046
],
[
0.5851631857237903,
2.911825701629203... | [
[
3.9178689447418993,
0,
-1.4351917847218436
],
[
-0.5257387339489125,
3.882434268838938,
-1.4351917847022848
],
[
0,
0,
6.0652077
]
] | [
92,
32,
32,
46,
46
] | [
1,
1,
1
] | -0.455808 | 0 | 0.011074 | 139 | 139 | [
"Ge",
"Pd",
"U"
] |
mp-865937 | mp-865937 | KNpAgS3 | # generated using pymatgen
data_KNpAgS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35904143
_cell_length_b 7.35904143
_cell_length_c 10.41709100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.67688761
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_KNpAgS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09673000
_cell_length_b 14.13643400
_cell_length_c 10.41709100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.1584173565871586e-15,
3.684195020968505,
7.81281825
],
[
2.048365000940913,
3.3840219813155077,
2.60427275
],
[
0,
0,
5.2085455
],
[
0,
0,
0
],
[
2.048365000940912,
0.662560525360099,
7.81281825
],
[
1.5214029965691424e-15,
... | [
[
4.096730001881824,
0,
1.1605091589411477e-15
],
[
-2.0483650009409105,
7.068217002284013,
4.506113266021131e-16
],
[
0,
0,
10.417091
]
] | [
19,
19,
93,
93,
47,
47,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.331121 | 0 | 0 | 63 | 63 | [
"Ag",
"K",
"Np",
"S"
] |
mp-1224259 | mp-1224259 | HfTiMo4 | # generated using pymatgen
data_HfTiMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31308297
_cell_length_b 5.31308297
_cell_length_c 5.31308297
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfTiMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51383399
_cell_length_b 7.51383399
_cell_length_c 7.51383399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.601264824434474,
3.2535855593927465,
7.969624454999998
],
[
0,
0,
0
],
[
3.0675098829563145,
3.7969950814084426,
5.313082969999998
],
[
2.300092530477836,
1.6264110256574045,
3.983877124897279
],
[
2.300092530477836,
1.6264110256574045,
... | [
[
4.601264824434474,
0,
2.656541484999999
],
[
1.533754941478157,
4.338114079190328,
2.656541484999999
],
[
0,
0,
5.313082969999999
]
] | [
72,
22,
42,
42,
42,
42
] | [
1,
1,
1
] | -0.079131 | 0 | 0.071766 | 216 | 216 | [
"Hf",
"Mo",
"Ti"
] |
mp-1079534 | mp-1079534 | EuP3 | # generated using pymatgen
data_EuP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77276093
_cell_length_b 5.77276093
_cell_length_c 5.51623798
_cell_angle_alpha 72.40621065
_cell_angle_beta 72.40621065
_cell_angle_gamma 77.64977870
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu... | # generated using pymatgen
data_EuP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.99472000
_cell_length_b 7.23837600
_cell_length_c 5.51623798
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.82923910
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
3.0135466086118656,
4.556939217256653,
6.43077197444823
],
[
3.6836717135600114,
0.8955364063184729,
2.2440801203723044
],
[
5.178117906793398,
3.399733053287187,
2.6966872009899774
],
[
4.422791111099591,
0.5377667658019679,
5.078674772362211
],
[
... | [
[
5.258207331943758,
0,
1.6673743149897018
],
[
1.4390109902281174,
5.452475623575127,
1.2347168498308327
],
[
0,
0,
5.77276093
]
] | [
63,
63,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.674729 | 0 | 0 | 12 | 12 | [
"Eu",
"P"
] |
mp-1185305 | mp-1185305 | LiGePt2 | # generated using pymatgen
data_LiGePt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31137995
_cell_length_b 4.31137995
_cell_length_c 4.31137995
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiGePt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09721200
_cell_length_b 6.09721200
_cell_length_c 6.09721200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.489176374711256,
1.7601134941276737,
4.311379949999999
],
[
3.733764562066883,
2.6401702411915116,
6.467069925
],
[
1.2445881873556273,
0.8800567470638365,
2.1556899749999996
]
] | [
[
3.7337645620668827,
0,
2.1556899750000005
],
[
1.2445881873556275,
3.520226988255349,
2.155689975
],
[
0,
0,
4.311379949999999
]
] | [
3,
32,
78,
78
] | [
1,
1,
1
] | -0.535013 | 0 | 0.003088 | 225 | 225 | [
"Ge",
"Li",
"Pt"
] |
mp-567196 | mp-567196 | Cs3Sb2Cl9 | # generated using pymatgen
data_Cs3Sb2Cl9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80929711
_cell_length_b 7.80929711
_cell_length_c 9.57375000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000938
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs3Sb2Cl9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80929711
_cell_length_b 7.80929711
_cell_length_c 9.57375000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.904648001404185,
2.2543500008596875,
6.455847690000002
],
[
7.472061487024445e-16,
4.508700001719376,
3.1179023100000007
],
[
0,
0,
0
],
[
3.904648001404185,
2.2543500008596875,
1.7227197225000022
],
[
7.472061487024445e-16,
4.5087000017193... | [
[
7.809296002808368,
0,
2.212193513357885e-15
],
[
-3.904648001404183,
6.763050002579063,
4.781815354676088e-16
],
[
0,
0,
9.57375
]
] | [
55,
55,
55,
51,
51,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.815991 | 2.5094 | 0.000972 | 150 | 150 | [
"Cl",
"Cs",
"Sb"
] |
mp-1220110 | mp-1220110 | Ni(Mo3Se4)2 | # generated using pymatgen
data_Ni(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77369400
_cell_length_b 6.78962281
_cell_length_c 6.82821481
_cell_angle_alpha 91.53354741
_cell_angle_beta 90.38829805
_cell_angle_gamma 93.15343135
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ni(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77369400
_cell_length_b 6.78962281
_cell_length_c 6.82821481
_cell_angle_alpha 91.53354741
_cell_angle_beta 90.38829805
_cell_angle_gamma 93.15343135
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.505685486865367,
3.420575090707067,
6.280106904989911
],
[
2.735649227684981,
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3.656368364618869
],
[
3.6818127125455318,
5.168863755083355,
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],
[
1.3873516100989178,
3.711538629760466,
2.766847283452933
],
[
... | [
[
6.7735384467569135,
0,
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],
[
-0.3747370288564871,
6.776837988899478,
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],
[
0,
0,
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] | [
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42,
42,
42,
42,
42,
42,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.733046 | 0 | 0.065402 | 1 | 1 | [
"Mo",
"Ni",
"Se"
] |
mp-28688 | mp-28688 | SrHgO2 | # generated using pymatgen
data_SrHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89983500
_cell_length_b 3.89983459
_cell_length_c 19.24411100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999496
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89983484
_cell_length_b 3.89983484
_cell_length_c 19.24411100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3086386882499286,
2.266627989978235,
16.036752751963
],
[
3.2585560939713214,
1.11072792729237,
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],
[
1.2825582659103636,
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],
[
1.310052103309582,
6.678276172284191e-17,
3.711075574622993e-16
],
[
... | [
[
3.899835092087763,
0,
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],
[
-1.9499171360439136,
3.3773559172706054,
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],
[
0,
0,
19.244111
]
] | [
38,
38,
38,
80,
80,
80,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.042224 | 2.2897 | 0.000081 | 166 | 166 | [
"Hg",
"O",
"Sr"
] |
mp-1105939 | mp-1105939 | Pr(Ge3Pt)4 | # generated using pymatgen
data_Pr(Ge3Pt)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56090753
_cell_length_b 7.56090753
_cell_length_c 7.56090753
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Pr(Ge3Pt)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.73058400
_cell_length_b 8.73058400
_cell_length_c 8.73058400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
-0.1827175065142199,
2.187304546146968,
2.549689237295242
],
[
3.746963498130542,
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[
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4.018440890605722
],
[
4.785527752151673,
2.1873045461469687,
... | [
[
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0,
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],
[
-3.5642459916163243,
6.173455146784629,
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],
[
0,
0,
7.56090753
]
] | [
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32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.38899 | 0 | 0.005945 | 204 | 204 | [
"Ge",
"Pr",
"Pt"
] |
mp-684745 | mp-684745 | CsTiNb(O2F)2 | # generated using pymatgen
data_CsTiNb(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38996731
_cell_length_b 7.38996731
_cell_length_c 7.46333702
_cell_angle_alpha 61.05294226
_cell_angle_beta 61.05294226
_cell_angle_gamma 90.50626186
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_CsTiNb(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.40471800
_cell_length_b 10.49706200
_cell_length_c 7.46333702
_cell_angle_alpha 90.00000000
_cell_angle_beta 133.43453251
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
-0.9550516213379314,
5.341984762583475,
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],
[
5.3768941780185,
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3.886583603504891
],
[
5.371975719482645,
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[
3.181614036840142,
0.05468087431578605,
0.1508277846487748
],
... | [
[
6.4667187847052086,
0,
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[
-2.0529272935686085,
6.132205261386827,
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],
[
0,
0,
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]
] | [
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41,
41,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.25502 | 2.434 | 0.017731 | 5 | 5 | [
"Cs",
"F",
"Nb",
"O",
"Ti"
] |
mp-1112650 | mp-1112650 | Cs3SmCl6 | # generated using pymatgen
data_Cs3SmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46887791
_cell_length_b 8.46887791
_cell_length_c 8.46887791
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs3SmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.97680200
_cell_length_b 11.97680200
_cell_length_c 11.97680200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
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1.728702464452338,
4.234438955000005
],
[
7.334263411608863,
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],
[
0,
0,
0
],
[
3.5476858918829697,
5.355029283373434,
... | [
[
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],
[
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4.234438955000001
],
[
0,
0,
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]
] | [
55,
55,
55,
62,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.470063 | 4.7486 | 0.004173 | 225 | 225 | [
"Cl",
"Cs",
"Sm"
] |
mp-850285 | mp-850285 | Ni6OF11 | # generated using pymatgen
data_Ni6OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69776300
_cell_length_b 5.63391862
_cell_length_c 7.78905698
_cell_angle_alpha 86.40087774
_cell_angle_beta 89.67108502
_cell_angle_gamma 89.57413605
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ni6OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69776300
_cell_length_b 5.63391862
_cell_length_c 7.78905698
_cell_angle_alpha 86.40087774
_cell_angle_beta 89.67108502
_cell_angle_gamma 89.57413605
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.420955815349864,
2.7793791942037984,
7.951496048956159
],
[
2.3444305292040593,
0.9438094032385315,
2.680492910189923
],
[
2.3785309649605257,
4.679907640911506,
5.494138965433724
],
[
0.04232484885670684,
3.7425530577882973,
2.81594502692267
],
[
... | [
[
4.697685592693381,
0,
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],
[
0.03984536878136939,
5.622665605681775,
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],
[
0,
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]
] | [
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28,
28,
28,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.157903 | 0.8744 | 0.036012 | 1 | 1 | [
"F",
"Ni",
"O"
] |
mp-1105233 | mp-1105233 | Ba(AsO3)2 | # generated using pymatgen
data_Ba(AsO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07886432
_cell_length_b 5.87001781
_cell_length_c 9.81369545
_cell_angle_alpha 106.28290327
_cell_angle_beta 103.71897272
_cell_angle_gamma 94.14251666
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba(AsO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47962101
_cell_length_b 18.14634201
_cell_length_c 5.07886432
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.48683502
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.8277191188483628,
0.8083988120252368,
2.132979716735333
],
[
2.2679705047516343,
4.763460719736869,
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],
[
3.4215895013892905,
2.9767325236867146,
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],
[
0.6741001222107067,
2.595127008075391,
8.115147594711061
],
... | [
[
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],
[
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5.571859531762105,
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],
[
0,
0,
9.81369545
]
] | [
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33,
33,
33,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.191432 | 2.7763 | 0 | 15 | 15 | [
"As",
"Ba",
"O"
] |
mp-1104461 | mp-1104461 | TbGa3Ru | # generated using pymatgen
data_TbGa3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46462600
_cell_length_b 6.46462600
_cell_length_c 6.46462600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbGa3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46462600
_cell_length_b 6.46462600
_cell_length_c 6.46462600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.232313,
3.232313,
3.9584417692923786e-16
],
[
3.232313,
0,
3.232313
],
[
-1.9792208846461893e-16,
3.232313,
3.232313
],
[
3.232313,
3.232313,
3.2323130000000004
],
[
1.35873509268,
1.35873509268,
5.10589090732
],
[
1.35873509267... | [
[
6.464626,
0,
3.9584417692923786e-16
],
[
-3.9584417692923786e-16,
6.464626,
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],
[
0,
0,
6.464626
]
] | [
65,
65,
65,
31,
31,
31,
31,
31,
31,
31,
31,
31,
44,
44,
44
] | [
1,
1,
1
] | -0.587827 | 0 | 0 | 221 | 221 | [
"Ga",
"Ru",
"Tb"
] |
mp-1213957 | mp-1213957 | CaZrTlF7 | # generated using pymatgen
data_CaZrTlF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66332229
_cell_length_b 6.66332229
_cell_length_c 8.65100100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 116.55188635
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CaZrTlF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00753400
_cell_length_b 11.33551600
_cell_length_c 8.65100100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.6862854282920514,
1.8403826546961461,
2.1627502500000015
],
[
-0.0015219851841731435,
4.120158523419439,
6.488250750000001
],
[
-0.0149241999644532,
4.12844367565702,
2.1627502500000015
],
[
3.699687643072333,
1.8320975024585657,
6.488250750000001
],... | [
[
6.66332229,
0,
4.080108157067856e-16
],
[
-2.978558846892121,
5.960541178115585,
4.080108157067856e-16
],
[
0,
0,
8.651001
]
] | [
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40,
40,
81,
81,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.738795 | 5.5631 | 0 | 63 | 63 | [
"Ca",
"F",
"Tl",
"Zr"
] |
mp-1213996 | mp-1213996 | Ca5(BN2)3 | # generated using pymatgen
data_Ca5(BN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40467355
_cell_length_b 6.40467355
_cell_length_c 6.40467355
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ca5(BN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39548000
_cell_length_b 7.39548000
_cell_length_c 7.39548000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
5.229394055388332,
-3.202336775
],
[
1.5095960331231952,
2.614697027694166,
1.0674455914300305
],
[
4.528788099369586,
2.614697027694166,
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],
[
2.745947886326156e-17,
4.7561212529989114e-17,
3.202336775
],
[
0,
0,
0
... | [
[
6.038384132492781,
0,
-2.134891184279878
],
[
-3.0191920662463905,
5.229394055388332,
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],
[
0,
0,
6.40467355
]
] | [
20,
20,
20,
20,
20,
5,
5,
5,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -1.255434 | 0 | 0.033944 | 229 | 229 | [
"B",
"Ca",
"N"
] |
mp-1078726 | mp-1078726 | CsHoS2 | # generated using pymatgen
data_CsHoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09047589
_cell_length_b 4.09047589
_cell_length_c 16.07669300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999819
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsHoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09047589
_cell_length_b 4.09047589
_cell_length_c 16.07669300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0452380009539066,
1.180818667334253,
12.057519749999999
],
[
1.4029342131753956e-15,
2.361637334668506,
4.019173250000001
],
[
0,
0,
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],
[
0,
0,
0
],
[
2.0452380009539066,
1.180818667334253,
1.4521272952249988
],
[
1.40... | [
[
4.090476001907812,
0,
1.158737544935215e-15
],
[
-2.045238000953905,
3.542456002002758,
2.50469410283896e-16
],
[
0,
0,
16.076693
]
] | [
55,
55,
67,
67,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.069313 | 2.2786 | 0 | 194 | 194 | [
"Cs",
"Ho",
"S"
] |
mp-548231 | mp-548231 | FeBiO3 | # generated using pymatgen
data_FeBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60594755
_cell_length_b 5.60594755
_cell_length_c 5.60594745
_cell_angle_alpha 59.48315564
_cell_angle_beta 59.48315564
_cell_angle_gamma 59.48315026
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_FeBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56209620
_cell_length_b 5.56209620
_cell_length_c 13.78510367
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9212876999344928,
1.3532934291313925,
2.2432442109451043
],
[
5.111931688254962,
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],
[
0.47603523853869467,
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],
[
3.686556798491595,
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],
[
... | [
[
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],
[
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],
[
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]
] | [
26,
26,
83,
83,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.612289 | 0 | 0.062123 | 146 | 146 | [
"Bi",
"Fe",
"O"
] |
mp-1030504 | mp-1030504 | MoW3Se8 | # generated using pymatgen
data_MoW3Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32132763
_cell_length_b 3.32132763
_cell_length_c 37.87051200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MoW3Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32132763
_cell_length_b 3.32132763
_cell_length_c 37.87051200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
34.31371351296
],
[
0,
0,
20.084398816127997
],
[
1.660663997985738,
0.9587846654080965,
27.198639588912002
],
[
1.660663997985738,
0.9587846654080965,
12.969097669007999
],
[
0,
0,
25.514992366416
],
[
0,
0,
11.2854... | [
[
3.3213279959714757,
0,
9.408556476511803e-16
],
[
-1.6606639979857387,
2.8763539962242897,
2.0337266254995824e-16
],
[
0,
0,
37.870512
]
] | [
42,
74,
74,
74,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.899977 | 1.1583 | 0.063224 | 156 | 156 | [
"Mo",
"Se",
"W"
] |
mp-568895 | mp-568895 | BaSbAu | # generated using pymatgen
data_BaSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84555102
_cell_length_b 4.84555102
_cell_length_c 9.47830500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998667
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_BaSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84555102
_cell_length_b 4.84555102
_cell_length_c 9.47830500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
4.7391525
],
[
9.309015781816333e-16,
2.797579997880877,
7.108728750000001
],
[
2.4227759981477694,
1.398789998940438,
2.369576250000001
],
[
2.4227759981477694,
1.398789998940438,
7.108728750000002
],
[
9.30901... | [
[
4.845551996295538,
0,
1.3726331657794096e-15
],
[
-2.4227759981477686,
4.196369996821315,
2.967044273374096e-16
],
[
0,
0,
9.478305
]
] | [
56,
56,
51,
51,
79,
79
] | [
1,
1,
1
] | -0.989473 | 0.0895 | 0 | 194 | 194 | [
"Ba",
"Sb",
"Au"
] |
mp-8672 | mp-8672 | La2PdO4 | # generated using pymatgen
data_La2PdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94899446
_cell_length_b 6.94899446
_cell_length_c 6.94899446
_cell_angle_alpha 145.71073201
_cell_angle_beta 145.71073201
_cell_angle_gamma 49.27662343
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2PdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09691600
_cell_length_b 4.09691600
_cell_length_c 12.63268200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3079180787177074,
2.5390823485367635,
0.5322684599164798
],
[
1.2343762041689461,
1.358013033634432,
4.001308803216811
],
[
0,
0,
0
],
[
2.843005604152283,
0.9742738455427988,
2.266788631600841
],
[
0.6992886787343703,
2.9228215366283967,
... | [
[
3.9148640668612393,
0,
-1.207708598364963
],
[
-0.37256978397458596,
3.8970953821711967,
-1.2077085985017457
],
[
0,
0,
6.94899446
]
] | [
57,
57,
46,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.982575 | 0 | 0.054606 | 139 | 139 | [
"La",
"Pd",
"O"
] |
mp-1208991 | mp-1208991 | Sc3V2Si3 | # generated using pymatgen
data_Sc3V2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64984243
_cell_length_b 7.64984243
_cell_length_c 5.17555400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000369
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sc3V2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64984243
_cell_length_b 7.64984243
_cell_length_c 5.17555400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.293888500000002,
4.994575434386326,
2.8836199004160408
],
[
3.8816655000000004,
1.6303821986066798,
0.9413017412487892
],
[
1.2938885,
5.075799211298086e-17,
1.88260327249571
],
[
3.8816655,
3.326713822610602e-17,
5.76723915750429
],
[
1.293888... | [
[
5.175554,
0,
3.1691128199571403e-16
],
[
2.5364105425394194e-15,
6.624957632993006,
-3.8249207883351692
],
[
0,
0,
7.64984243
]
] | [
21,
21,
21,
21,
21,
21,
23,
23,
23,
23,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.650297 | 0 | 0.028166 | 193 | 193 | [
"Sc",
"Si",
"V"
] |
mp-1275809 | mp-1275809 | LiFeWClO4 | # generated using pymatgen
data_LiFeWClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13321093
_cell_length_b 7.08517201
_cell_length_c 7.16682524
_cell_angle_alpha 89.99523684
_cell_angle_beta 92.24726308
_cell_angle_gamma 89.99876972
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LiFeWClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13321093
_cell_length_b 7.08517201
_cell_length_c 7.16682524
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.24726308
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.003923850545701389,
7.0444534999583786,
7.134031158151662
],
[
0.00389460771284539,
3.5834320081573297,
7.133877389214271
],
[
3.5157381820154407,
1.771399273416418,
5.2234990768361405
],
[
1.6201836084823353,
5.313921498541903,
1.7279643778926699
],... | [
[
5.129263031238965,
0,
-0.20128389959637927
],
[
0.00017536710461593357,
7.0851719833466715,
0.0005890103627016152
],
[
0,
0,
7.16682524
]
] | [
3,
3,
26,
26,
74,
74,
17,
17,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.012238 | 3.4565 | 0.039018 | 6 | 6 | [
"Cl",
"Fe",
"Li",
"O",
"W"
] |
mp-979911 | mp-979911 | Y2Au | # generated using pymatgen
data_Y2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98281600
_cell_length_b 7.18228600
_cell_length_c 8.99945700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2... | # generated using pymatgen
data_Y2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98281600
_cell_length_b 7.18228600
_cell_length_c 8.99945700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2... | [
[
1.245704,
1.0633158954420001,
5.225471710851
],
[
3.7371119999999998,
3.479178343546,
6.083290952634
],
[
3.7371119999999993,
7.070321343546,
7.415894547366001
],
[
1.2457039999999997,
4.6544588954420005,
8.273713789149
],
[
3.7371119999999998,
... | [
[
4.982816,
0,
3.051094832570109e-16
],
[
-4.3978817802304237e-16,
7.182286,
4.3978817802304237e-16
],
[
0,
0,
8.999457
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.646644 | 0 | 0 | 62 | 62 | [
"Au",
"Y"
] |
mp-1219850 | mp-1219850 | Pr2NiGe4 | # generated using pymatgen
data_Pr2NiGe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13663400
_cell_length_b 4.20140800
_cell_length_c 8.67709195
_cell_angle_alpha 75.98962539
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2NiGe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20140800
_cell_length_b 16.83792999
_cell_length_c 4.13663400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.0341585,
0.4465722370578221,
1.7897219903477608
],
[
3.1024754999999993,
3.653503063510242,
5.965014948656798
],
[
1.0341584999999998,
1.2845626959530898,
5.148125911441228
],
[
1.0341584999999995,
1.8555188551409458,
7.436331119643895
],
[
3.1... | [
[
4.136634,
0,
2.5329577936720563e-16
],
[
-2.496089733915722e-16,
4.07642388916314,
-1.0171516397883187
],
[
0,
0,
8.677092434899915
]
] | [
59,
59,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.687593 | 0 | 0.022373 | 38 | 38 | [
"Ge",
"Ni",
"Pr"
] |
mp-13363 | mp-13363 | SiPt3 | # generated using pymatgen
data_SiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54219181
_cell_length_b 5.54219181
_cell_length_c 5.44610053
_cell_angle_alpha 61.31671648
_cell_angle_beta 61.31671648
_cell_angle_gamma 91.05125768
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76561000
_cell_length_b 7.90941600
_cell_length_c 5.44610053
_cell_angle_alpha 90.00000000
_cell_angle_beta 133.24271427
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.219613039353014,
3.288086418414188,
1.4662736345255591
],
[
-0.5296147552251214,
1.3131198529633499,
1.3602846575908323
],
[
1.5424816670552886,
1.2612642582849252,
2.688139919459897
],
[
0.14751661707260436,
3.3399420130926125,
0.13841837265649434
]... | [
[
4.777789030667455,
0,
-2.6139515988824322
],
[
-3.087790746539561,
4.601206271377538,
-0.10168191900117594
],
[
0,
0,
5.54219181
]
] | [
14,
14,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.489017 | 0 | 0.046264 | 12 | 12 | [
"Si",
"Pt"
] |
mp-865983 | mp-865983 | TmCdHg2 | # generated using pymatgen
data_TmCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08963865
_cell_length_b 5.08963865
_cell_length_c 5.08963865
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19783601
_cell_length_b 7.19783601
_cell_length_c 7.19783601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.938504244655424,
2.0778362779413038,
5.089638650000001
],
[
4.407756366983135,
3.116754416911956,
7.634457975000001
],
[
1.4692521223277122,
1.0389181389706528,
2.5448193250000015
]
] | [
[
4.407756366983135,
0,
2.5448193250000006
],
[
1.469252122327712,
4.1556725558826075,
2.5448193250000006
],
[
0,
0,
5.08963865
]
] | [
69,
48,
80,
80
] | [
1,
1,
1
] | -0.332128 | 0 | 0 | 225 | 225 | [
"Tm",
"Cd",
"Hg"
] |
mp-1211665 | mp-1211665 | K3LuF6 | # generated using pymatgen
data_K3LuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56030400
_cell_length_b 6.34381500
_cell_length_c 11.06316882
_cell_angle_alpha 55.33020283
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K3LuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34381500
_cell_length_b 6.56030400
_cell_length_c 11.06316882
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.66979717
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.171858501757161,
3.280152,
0.01763046757933562
],
[
-9.506423872419169e-49,
1.5525168365340786e-32,
4.54948877624101
],
[
3.0958607720550586,
0.325679731776,
2.2679857228234015
],
[
3.247856231459262,
6.2346242682240005,
6.86625276481729
],
[
0... | [
[
6.343717003514322,
0,
0.03526093515867045
],
[
-4.017027647516789e-16,
6.560304,
4.017027647516789e-16
],
[
0,
0,
9.09897755248202
]
] | [
19,
19,
19,
19,
19,
19,
71,
71,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.638641 | 6.7229 | 0 | 14 | 14 | [
"F",
"K",
"Lu"
] |
mp-674493 | mp-674493 | In2NiS4 | # generated using pymatgen
data_In2NiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46027905
_cell_length_b 7.46027905
_cell_length_c 7.46027905
_cell_angle_alpha 120.47959266
_cell_angle_beta 118.72708824
_cell_angle_gamma 90.69503893
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_In2NiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40613401
_cell_length_b 7.60335200
_cell_length_c 10.48624201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
7.522830936735967,
5.446467959301251,
9.224052123344487
],
[
5.4300940345869835,
6.1555226085840475,
5.4237901296041295
],
[
4.322382562542884,
3.077761304292024,
7.361082331207667
],
[
1.1219341883498022,
0.7090546492827965,
5.498112539070848
],
[
... | [
[
6.429342180997573,
0,
3.676190966222662
],
[
2.215422944088197,
6.155522608584048,
3.585694646492799
],
[
0,
0,
7.460279049699874
]
] | [
49,
49,
49,
49,
28,
28,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.701748 | 0 | 0.073209 | 74 | 74 | [
"In",
"Ni",
"S"
] |
mp-1206873 | mp-1206873 | Cs2NaTbF6 | # generated using pymatgen
data_Cs2NaTbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50161492
_cell_length_b 6.50161492
_cell_length_c 6.50161492
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2NaTbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.19467200
_cell_length_b 9.19467200
_cell_length_c 9.19467200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.876854562114644,
1.3271365881721726,
3.2508074600000003
],
[
5.630563686343932,
3.981409764516518,
9.752422379999999
],
[
3.7537091242292875,
2.654273176344345,
6.501614919999998
],
[
0,
0,
0
],
[
5.703821073612391,
4.0332105598260535,
... | [
[
5.630563686343931,
0,
3.250807459999999
],
[
1.876854562114645,
5.3085463526886905,
3.2508074599999985
],
[
0,
0,
6.50161492
]
] | [
55,
55,
11,
65,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.589691 | 6.8618 | 0 | 225 | 225 | [
"Cs",
"F",
"Na",
"Tb"
] |
mp-22662 | mp-22662 | TiGaPt | # generated using pymatgen
data_TiGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41601820
_cell_length_b 4.41601820
_cell_length_c 5.51572000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41601820
_cell_length_b 4.41601820
_cell_length_c 5.51572000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
2.75786
],
[
2.2080090012128237,
1.2747946672697434,
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],
[
-5.334998369901237e-16,
2.5495893345394873,
1.37893
],
[
2.2080090012128237,
1.2747946672697434,
1.3789300000000002
],
[
-5.33499836990... | [
[
4.4160180024256475,
0,
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],
[
-2.2080090012128246,
3.8243840018092303,
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],
[
0,
0,
5.51572
]
] | [
22,
22,
31,
31,
78,
78
] | [
1,
1,
1
] | -0.813703 | 0 | 0 | 194 | 194 | [
"Ti",
"Ga",
"Pt"
] |
mp-1103225 | mp-1103225 | Pr2Al | # generated using pymatgen
data_Pr2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31084500
_cell_length_b 6.82017300
_cell_length_c 9.92515400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_Pr2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31084500
_cell_length_b 6.82017300
_cell_length_c 9.92515400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
1.3277112499999995,
5.4981779463719995,
9.160242231527999
],
[
1.3277112499999997,
2.0880914463719997,
5.727488768472
],
[
3.9831337499999995,
1.321995053628,
0.7649117684720003
],
[
3.983133749999999,
4.732081553627999,
4.197665231528
],
[
1.327... | [
[
5.310845,
0,
3.2519546650088623e-16
],
[
-4.1761515170406006e-16,
6.820173,
4.1761515170406006e-16
],
[
0,
0,
9.925154
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.233504 | 0 | 0.024147 | 62 | 62 | [
"Al",
"Pr"
] |
mp-1227322 | mp-1227322 | Bi2PdPt | # generated using pymatgen
data_Bi2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36804394
_cell_length_b 4.36804394
_cell_length_c 5.66779700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999910
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Bi2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36804394
_cell_length_b 4.36804394
_cell_length_c 5.66779700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1840219997103323,
1.2609456665778005,
4.294512458088001
],
[
-1.3620364074398286e-17,
2.5218913331556014,
1.373284541912001
],
[
0,
0,
2.8338985
],
[
0,
0,
0
]
] | [
[
4.368043999420664,
0,
1.237366159267781e-15
],
[
-2.184021999710332,
3.782836999733402,
2.6746555148279965e-16
],
[
0,
0,
5.667797
]
] | [
83,
83,
46,
78
] | [
1,
1,
1
] | -0.30269 | 0 | 0 | 164 | 164 | [
"Bi",
"Pd",
"Pt"
] |
mp-558828 | mp-558828 | K3Nb3(BO6)2 | # generated using pymatgen
data_K3Nb3(BO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91678360
_cell_length_b 8.91678360
_cell_length_c 4.03286500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999702
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_K3Nb3(BO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91678360
_cell_length_b 8.91678360
_cell_length_c 4.03286500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.0231310887650005,
2.8980021125777206e-16,
5.3198155132452
],
[
2.023131088765002,
3.1150658332721766,
1.7984838813603012
],
[
2.0231310887650014,
4.607095516260851,
-2.659907996241372
],
[
3.9517600519850022,
5.8136368941572885,
3.3565044226498326
],... | [
[
4.032865,
0,
2.4694176068216954e-16
],
[
2.956482523088564e-15,
7.722161349533027,
-4.4583922016358715
],
[
0,
0,
8.9167836
]
] | [
19,
19,
19,
41,
41,
41,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.880711 | 2.346 | 0 | 157 | 157 | [
"B",
"K",
"Nb",
"O"
] |
mp-1105662 | mp-1105662 | SmGe2Ir | # generated using pymatgen
data_SmGe2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.53691500
_cell_length_b 9.53691500
_cell_length_c 9.53691500
_cell_angle_alpha 153.63946504
_cell_angle_beta 123.73613830
_cell_angle_gamma 63.16730120
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SmGe2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34913000
_cell_length_b 8.99337600
_cell_length_c 16.24854600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.7345313401908813,
5.8201958992374205,
-3.1365488649274966
],
[
-0.2585066588801793,
2.0483256651091293,
-1.1038586417240144
],
[
0.1721784330562732,
5.55746596420389,
0.7352253534681591
],
[
3.069346561208158,
2.311055600142662,
3.5696128339899236
]... | [
[
4.2345629933354925,
0,
-0.9916693058904047
],
[
-0.9930379990710607,
7.86852156434655,
-4.240407506651511
],
[
0,
0,
9.536915
]
] | [
62,
62,
62,
62,
32,
32,
32,
32,
32,
32,
32,
32,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.807972 | 0 | 0 | 71 | 71 | [
"Ge",
"Ir",
"Sm"
] |
mp-861900 | mp-861900 | LiGaAu2 | # generated using pymatgen
data_LiGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50121832
_cell_length_b 4.50121832
_cell_length_c 4.50121832
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36568400
_cell_length_b 6.36568400
_cell_length_c 6.36568400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.598779608733275,
1.8376146841446213,
4.5012183199999996
],
[
1.2993898043666376,
0.9188073420723111,
2.25060916
],
[
3.8981694130999123,
2.756422026216932,
6.751827479999999
]
] | [
[
3.898169413099913,
0,
2.2506091599999998
],
[
1.2993898043666365,
3.6752293682892425,
2.25060916
],
[
0,
0,
4.5012183199999996
]
] | [
3,
31,
79,
79
] | [
1,
1,
1
] | -0.429756 | 0 | 0 | 225 | 225 | [
"Li",
"Ga",
"Au"
] |
mvc-11476 | mvc-11476 | Mg(VS2)4 | # generated using pymatgen
data_Mg(VS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44476094
_cell_length_b 7.44476094
_cell_length_c 7.44476119
_cell_angle_alpha 51.95415341
_cell_angle_beta 51.95415341
_cell_angle_gamma 51.95415296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg(VS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52178208
_cell_length_b 6.52178208
_cell_length_c 19.26705153
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.0491991986326905,
2.709974893753222,
6.578996487268288
],
[
5.1669572763893346,
5.419949787506445,
4.284923838402432
],
[
1.1177580777566436,
2.7099748937532224,
1.4283079461341441
],
[
4.0491991986326905,
2.709974893753222,
2.856615892268288
],
[
... | [
[
5.862882241752094,
0,
2.856615892268288
],
[
2.235516155513287,
5.419949787506445,
2.8566158922682883
],
[
0,
0,
7.44476119
]
] | [
12,
23,
23,
23,
23,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.24531 | 0 | 0.056179 | 166 | 166 | [
"Mg",
"S",
"V"
] |
mp-1216795 | mp-1216795 | TmMn6GaGe5 | # generated using pymatgen
data_TmMn6GaGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18913020
_cell_length_b 5.18594668
_cell_length_c 8.11805728
_cell_angle_alpha 90.02185701
_cell_angle_beta 89.97101964
_cell_angle_gamma 120.01901255
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TmMn6GaGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18753844
_cell_length_b 5.18753844
_cell_length_c 8.11805728
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.00011166242987543729,
0.00022914140422499246,
0.023794157160723032
],
[
-1.2948577989528225,
2.2464394254588584,
6.090214020672924
],
[
1.2981066992206556,
2.246425946552727,
6.092720942601579
],
[
0.0031296721034246105,
4.49293725951095,
6.09123410095... | [
[
5.186048294562617,
0,
0.0006463577158788287
],
[
-2.5898399993817565,
4.492968710291922,
0.001978318240164405
],
[
0,
0,
8.11805728
]
] | [
69,
25,
25,
25,
25,
25,
25,
31,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.299805 | 0 | 0.009945 | 183 | 183 | [
"Ga",
"Ge",
"Mn",
"Tm"
] |
mp-1114466 | mp-1114466 | Rb2AlTlBr6 | # generated using pymatgen
data_Rb2AlTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06556966
_cell_length_b 8.06556966
_cell_length_c 8.06556966
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2AlTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.40643800
_cell_length_b 11.40643800
_cell_length_c 11.40643800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.3283294071843392,
1.646377512656101,
4.032784830000003
],
[
6.984988221553017,
4.939132537968302,
12.09835449
],
[
0,
0,
0
],
[
4.6566588143686785,
3.2927550253122,
8.065569660000001
],
[
3.361334658611,
5.124620014054187,
5.82200240995... | [
[
6.984988221553017,
0,
4.032784829999999
],
[
2.328329407184338,
6.585510050624402,
4.032784829999999
],
[
0,
0,
8.06556966
]
] | [
37,
37,
13,
81,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.627475 | 2.9088 | 0.07585 | 225 | 225 | [
"Al",
"Br",
"Rb",
"Tl"
] |
mp-865949 | mp-865949 | TmNpRu2 | # generated using pymatgen
data_TmNpRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76123139
_cell_length_b 4.76123139
_cell_length_c 4.76123139
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmNpRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73339801
_cell_length_b 6.73339801
_cell_length_c 6.73339801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.7488982246905955,
1.9437645754703812,
4.761231389999999
],
[
4.123347337035893,
2.9156468632055725,
7.141847084999998
],
[
1.3744491123452978,
0.9718822877351906,
2.3806156949999995
]
] | [
[
4.123347337035894,
0,
2.3806156949999995
],
[
1.374449112345297,
3.887529150940764,
2.380615695
],
[
0,
0,
4.761231389999999
]
] | [
69,
93,
44,
44
] | [
1,
1,
1
] | -0.268923 | 0 | 0.016255 | 225 | 225 | [
"Np",
"Ru",
"Tm"
] |
mp-21359 | mp-21359 | SbRh2 | # generated using pymatgen
data_SbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22276800
_cell_length_b 5.84719100
_cell_length_c 8.05158000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SbRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22276800
_cell_length_b 5.84719100
_cell_length_c 8.05158000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
3.1670760000000002,
1.263741696448,
3.1598425710000004
],
[
1.0556919999999999,
4.583449303551999,
4.891737429
],
[
3.167076,
4.1873371964479995,
0.8659474290000004
],
[
1.055692,
1.6598538035519999,
7.185632570999999
],
[
3.167076,
3.8533865... | [
[
4.222768,
0,
2.585699657370935e-16
],
[
-3.5803718710766053e-16,
5.847191,
3.5803718710766053e-16
],
[
0,
0,
8.05158
]
] | [
51,
51,
51,
51,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.360129 | 0 | 0.034593 | 62 | 62 | [
"Sb",
"Rh"
] |
mp-1221934 | mp-1221934 | MgTaN2 | # generated using pymatgen
data_MgTaN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10367000
_cell_length_b 3.10367000
_cell_length_c 4.29308900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgTaN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10367000
_cell_length_b 3.10367000
_cell_length_c 4.29308900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.551835,
1.551835,
2.1465445
],
[
0,
0,
2.1465445
],
[
1.551835,
1.551835,
1.900449765554833e-16
]
] | [
[
3.10367,
0,
1.900449765554833e-16
],
[
-1.900449765554833e-16,
3.10367,
1.900449765554833e-16
],
[
0,
0,
4.293089
]
] | [
12,
73,
7,
7
] | [
1,
1,
1
] | -1.251975 | 0 | 0.060313 | 123 | 123 | [
"Mg",
"N",
"Ta"
] |
mp-771690 | mp-771690 | Li3MgNi3O8 | # generated using pymatgen
data_Li3MgNi3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78692900
_cell_length_b 4.91879900
_cell_length_c 5.09564012
_cell_angle_alpha 71.81791133
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li3MgNi3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91879900
_cell_length_b 5.78692900
_cell_length_c 5.09564012
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.18208867
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-0.7950164998142647,
2.42060649903314,
2.8934645
],
[
1.6643830001857352,
2.4206064990331404,
1.3934346339099992
],
[
1.664383000185735,
2.420606499033141,
4.39349436609
],
[
2.4593995,
1.4270196362913625e-16,
2.8934645
],
[
-1.5900329996285296,
... | [
[
4.918799,
0,
3.011895725499601e-16
],
[
-1.5900329996285296,
4.841212998066281,
3.1201796812824174e-16
],
[
0,
0,
5.786929
]
] | [
3,
3,
3,
12,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.538732 | 0 | 0.073566 | 10 | 10 | [
"Li",
"Mg",
"Ni",
"O"
] |
mp-1189245 | mp-1189245 | Tm5Rh3 | # generated using pymatgen
data_Tm5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19616100
_cell_length_b 8.19616156
_cell_length_c 6.16810300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000177
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tm5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19616128
_cell_length_b 8.19616128
_cell_length_c 6.16810300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.084051500000001,
2.366027837636007,
4.098080759758777
],
[
3.084051500000002,
4.732055675272014,
-4.048244776800069e-8
],
[
6.168103000000002,
4.732055675272014,
-4.048244776800069e-8
],
[
6.168103000000001,
2.366027837636007,
4.098080759758777
],
... | [
[
6.168103,
0,
3.7768737978805936e-16
],
[
2.7175500359889087e-15,
7.09808351290802,
-4.0980808407236715
],
[
0,
0,
8.19616156
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.781911 | 0 | 0 | 193 | 193 | [
"Rh",
"Tm"
] |
mp-555194 | mp-555194 | SiHg3(SF3)2 | # generated using pymatgen
data_SiHg3(SF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40494297
_cell_length_b 7.40494297
_cell_length_c 4.90985000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000862
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_SiHg3(SF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40494297
_cell_length_b 7.40494297
_cell_length_c 4.90985000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.454925,
0,
1.5032080216984078e-16
],
[
4.9098500000000005,
3.2064340842838885,
1.8512362248996324
],
[
4.90985,
7.794831979136258e-17,
3.7024714850000002
],
[
4.9098500000000005,
3.2064340842838885,
-1.8512352601003672
],
[
3.8594023220500016,
... | [
[
4.90985,
0,
3.0064160433968156e-16
],
[
2.455210634052358e-15,
6.412868168567777,
-3.7024705202007353
],
[
0,
0,
7.40494297
]
] | [
14,
80,
80,
80,
16,
16,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.084852 | 2.7984 | 0 | 164 | 164 | [
"F",
"Hg",
"S",
"Si"
] |
mp-865203 | mp-865203 | YCuPbS3 | # generated using pymatgen
data_YCuPbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81594639
_cell_length_b 6.81594639
_cell_length_c 10.27778900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.49031382
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_YCuPbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92976400
_cell_length_b 13.05317799
_cell_length_c 10.27778900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
8.881784197001252e-16,
6.526588995878023,
5.138894500000001
],
[
8.881784197001252e-16,
6.526588995878023,
10.277789000000002
],
[
5.067036942255976e-16,
0.4462620491821542,
7.708341750000001
],
[
1.9648819990620134,
6.080326946695867,
2.5694472500000014... | [
[
3.9297639981240255,
0,
1.1132115394974155e-15
],
[
-1.9648819990620119,
6.526588995878023,
4.1735634648367284e-16
],
[
0,
0,
10.277789
]
] | [
39,
39,
29,
29,
82,
82,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.353132 | 1.6014 | 0.000455 | 63 | 63 | [
"Cu",
"Pb",
"S",
"Y"
] |
mp-1209441 | mp-1209441 | Rb2MnI4 | # generated using pymatgen
data_Rb2MnI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38535800
_cell_length_b 8.16911100
_cell_length_c 10.28467564
_cell_angle_alpha 71.50819758
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2MnI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16911100
_cell_length_b 8.38535800
_cell_length_c 10.28467564
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.49180242
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
6.086877312078245,
6.2890185,
2.5873202257317875
],
[
1.660454675588707,
2.0963395,
5.106366876433014
],
[
5.679073250911434,
6.2890185,
7.683150113480237
],
[
2.0682587367555203,
2.0963395,
0.01053698868456332
],
[
1.7345579060507414,
6.2890... | [
[
7.747331987666954,
0,
-2.5909885378351984
],
[
-5.134550917202326e-16,
8.385358,
5.134550917202326e-16
],
[
0,
0,
10.28467564
]
] | [
37,
37,
37,
37,
25,
25,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.301133 | 2.091 | 0 | 11 | 11 | [
"I",
"Mn",
"Rb"
] |
mp-1114618 | mp-1114618 | Rb3AsI6 | # generated using pymatgen
data_Rb3AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97733436
_cell_length_b 8.97733436
_cell_length_c 8.97733436
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb3AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.69586801
_cell_length_b 12.69586801
_cell_length_c 12.69586801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.591533204675638,
1.8324907026962485,
4.488667179999999
],
[
7.774599614026915,
5.497472108088748,
13.466001539999999
],
[
5.183066409351277,
3.6649814053924987,
8.97733436
],
[
0,
0,
0
],
[
3.765948673171314,
5.6690885273776574,
6.52281... | [
[
7.774599614026916,
0,
4.488667179999999
],
[
2.591533204675637,
7.3299628107849975,
4.488667179999999
],
[
0,
0,
8.97733436
]
] | [
37,
37,
37,
33,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.135154 | 2.3133 | 0.074871 | 225 | 225 | [
"As",
"I",
"Rb"
] |
mp-1178568 | mp-1178568 | Ba3Ce2O6 | # generated using pymatgen
data_Ba3Ce2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.45565677
_cell_length_b 11.45565677
_cell_length_c 11.45565677
_cell_angle_alpha 157.20459857
_cell_angle_beta 157.20459857
_cell_angle_gamma 32.45763477
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba3Ce2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52768800
_cell_length_b 4.52768800
_cell_length_c 21.99837200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.913440522593285,
3.034349509427149,
2.996391343379731
],
[
2.1290107644523464,
2.2173655918435697,
10.56090411428109
],
[
1.3445810063114085,
1.4003816742599902,
6.669760115182452
],
[
3.8342334201973958,
3.993355693168309,
7.563961250998072
],
[
... | [
[
4.438397945616977,
0,
-0.894752655611646
],
[
-0.18037641671228352,
4.43473118368714,
-0.8947526558261696
],
[
0,
0,
11.45565677
]
] | [
56,
56,
56,
58,
58,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.234664 | 0 | 0.029526 | 139 | 139 | [
"Ba",
"Ce",
"O"
] |
mp-569396 | mp-569396 | BaLi2(MgGe)2 | # generated using pymatgen
data_BaLi2(MgGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.16271713
_cell_length_b 9.16271713
_cell_length_c 9.16271733
_cell_angle_alpha 29.21281281
_cell_angle_beta 29.21281281
_cell_angle_gamma 29.21281746
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_BaLi2(MgGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62126366
_cell_length_b 4.62126366
_cell_length_c 26.29696270
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
0,
0,
0
],
[
3.7385272577408974,
2.2562122924103813,
3.979581787915618
],
[
2.817486058911093,
1.700361196149571,
7.51389372858205
],
[
0.8904115046144068,
0.5373659849222585,
5.745940733183527
],
[
5.6656018120375835,
3.4192075036376943,
... | [
[
4.471908578156892,
0,
1.1653790932488335
],
[
2.084104738495099,
3.9565734885599526,
1.1653790932488335
],
[
0,
0,
9.16271733
]
] | [
56,
3,
3,
12,
12,
32,
32
] | [
1,
1,
1
] | -0.426453 | 0 | 0 | 166 | 166 | [
"Ba",
"Li",
"Mg",
"Ge"
] |
mp-971799 | mp-971799 | DyYHg2 | # generated using pymatgen
data_DyYHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27950389
_cell_length_b 5.27950389
_cell_length_c 5.27950389
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyYHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46634600
_cell_length_b 7.46634600
_cell_length_c 7.46634600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0481229920791773,
2.1553484375898146,
5.279503890000001
],
[
0,
0,
0
],
[
4.572184488118765,
3.2330226563847217,
7.919255835
],
[
1.5240614960395882,
1.0776742187949073,
2.639751945000001
]
] | [
[
4.572184488118764,
0,
2.6397519450000004
],
[
1.5240614960395882,
4.310696875179629,
2.6397519450000004
],
[
0,
0,
5.27950389
]
] | [
66,
39,
80,
80
] | [
1,
1,
1
] | -0.494055 | 0 | 0.007246 | 225 | 225 | [
"Dy",
"Y",
"Hg"
] |
mp-754824 | mp-754824 | SrO | # generated using pymatgen
data_SrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30750769
_cell_length_b 4.30750769
_cell_length_c 5.20485800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999528
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr... | # generated using pymatgen
data_SrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30750769
_cell_length_b 4.30750769
_cell_length_c 5.20485800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr... | [
[
2.153753998654774,
1.243470332608065,
1.3012145000000008
],
[
2.8467939127106075e-16,
2.4869406652161303,
3.9036435000000003
],
[
2.153753998654774,
1.243470332608065,
3.9036435000000007
],
[
2.8467939127106075e-16,
2.4869406652161303,
1.3012145000000006... | [
[
4.307507997309548,
0,
1.2202177055343497e-15
],
[
-2.1537539986547736,
3.730410997824195,
2.6375877524305543e-16
],
[
0,
0,
5.204858
]
] | [
38,
38,
8,
8
] | [
1,
1,
1
] | -3.026198 | 2.5667 | 0.050893 | 194 | 194 | [
"O",
"Sr"
] |
mp-1223 | mp-1223 | La4Sb3 | # generated using pymatgen
data_La4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41539748
_cell_length_b 8.41539748
_cell_length_c 8.41539748
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71726400
_cell_length_b 9.71726400
_cell_length_c 9.71726400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.9835282085474804,
3.435571634688699,
4.000851075385019
],
[
1.419861063411709,
2.459271500972673,
5.211692125863842
],
[
3.4033892719591896,
0.9763001337160261,
2.4065596322195826
],
[
1.1273342902715433,
1.0216433579181973e-16,
8.01682461924303
],
... | [
[
7.934112834189922,
0,
-2.8051324945770424
],
[
-3.967056417094961,
6.871143269377398,
-2.805132492711479
],
[
0,
0,
8.41539748
]
] | [
57,
57,
57,
57,
57,
57,
57,
57,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -1.216537 | 0 | 0 | 220 | 220 | [
"La",
"Sb"
] |
mp-862586 | mp-862586 | Re3Pd | # generated using pymatgen
data_Re3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57881654
_cell_length_b 5.57881654
_cell_length_c 4.44252800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000638
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Re3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57881654
_cell_length_b 5.57881654
_cell_length_c 4.44252800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1106320000000007,
0.7716126779853131,
1.3364725338761023
],
[
1.1106320000000014,
3.288166348719403,
2.7894058467356624
],
[
1.1106320000000003,
0.7716126779853136,
4.242338599148603
],
[
3.331896000000002,
4.059783858101253,
1.452936274109613
],
[... | [
[
4.442528,
0,
2.7202638476612465e-16
],
[
1.8497333550165116e-15,
4.831396536086566,
-2.7894077320142845
],
[
0,
0,
5.57881654
]
] | [
75,
75,
75,
75,
75,
75,
46,
46
] | [
1,
1,
1
] | -0.05631 | 0 | 0 | 194 | 194 | [
"Re",
"Pd"
] |
mp-1304368 | mp-1304368 | Mn2O3 | # generated using pymatgen
data_Mn2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21245549
_cell_length_b 5.20375080
_cell_length_c 5.39767560
_cell_angle_alpha 67.82722842
_cell_angle_beta 95.00273397
_cell_angle_gamma 58.81648668
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_Mn2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07400802
_cell_length_b 5.11466595
_cell_length_c 5.91717332
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.89184018
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.136204364052725,
2.889285103268815,
3.1108525311083386
],
[
2.209508385535992,
1.56447094744719,
6.668595053369198
],
[
0.95417299997348,
0.663632066622863,
3.6099744943426004
],
[
5.3910791254208545,
3.791246519203821,
6.171107707758427
],
[
4... | [
[
4.506766352325883,
0,
2.4184426423748304
],
[
1.8383448723982265,
4.454504407456457,
1.9638994380005301
],
[
0,
0,
5.3976756
]
] | [
25,
25,
25,
25,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.955316 | 0 | 0.058604 | 15 | 15 | [
"Mn",
"O"
] |
mp-2731 | mp-2731 | TiGa3 | # generated using pymatgen
data_TiGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16503618
_cell_length_b 5.16503618
_cell_length_c 5.16503618
_cell_angle_alpha 136.76381475
_cell_angle_beta 136.76381475
_cell_angle_gamma 62.80165021
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80578600
_cell_length_b 3.80578600
_cell_length_c 8.81716399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
2.5146530539806755,
0.8735458222406284,
1.1803975096242774
],
[
0.4677836612664233,
2.6206374667218846,
1.180397509726239
],
[
1.4912183576235494,
1.7470916444812563,
-1.4021205803247416
]
] | [
[
3.538087750337801,
0,
-1.4021205804267027
],
[
-0.5556510350907027,
3.4941832889625126,
-1.4021205802227803
],
[
0,
0,
5.1650361799999995
]
] | [
22,
31,
31,
31
] | [
1,
1,
1
] | -0.373562 | 0 | 0 | 139 | 139 | [
"Ti",
"Ga"
] |
mp-1518915 | mp-1518915 | BaCeEuWO6 | # generated using pymatgen
data_BaCeEuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01230211
_cell_length_b 6.09433405
_cell_length_c 8.51571485
_cell_angle_alpha 89.94606110
_cell_angle_beta 90.33754094
_cell_angle_gamma 90.23838334
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BaCeEuWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01230211
_cell_length_b 6.09433405
_cell_length_c 8.51571485
_cell_angle_alpha 89.94606110
_cell_angle_beta 89.66245906
_cell_angle_gamma 89.76161666
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.9625908541044725,
3.2387945030063725,
6.359131475237697
],
[
3.074929419806792,
2.855484237572646,
2.115426626161106
],
[
0.012661247914423092,
3.047139370289509,
8.512846212648977
],
[
3.006098889041209,
0,
4.240147688050423
],
[
0.05693654408... | [
[
6.012197778082418,
0,
-0.035419473899152926
],
[
0.025322495828846183,
6.094278740579019,
-0.005737274702044194
],
[
0,
0,
8.51571485
]
] | [
56,
56,
58,
58,
63,
63,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.086252 | 0.057 | 0.057941 | 2 | 2 | [
"Ba",
"Ce",
"Eu",
"O",
"W"
] |
mp-1219834 | mp-1219834 | Pr2SbAu3 | # generated using pymatgen
data_Pr2SbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72731300
_cell_length_b 4.71887000
_cell_length_c 8.49148500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2SbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72731300
_cell_length_b 4.71887000
_cell_length_c 8.49148500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.4447372602731177e-16,
2.359435,
8.392465793415
],
[
0,
0,
4.3564290069750005
],
[
1.8636564999999998,
2.359435,
2.8486979133450006
],
[
1.8636565,
0,
7.083528855120001
],
[
1.8636565,
0,
1.3586715659400004
],
[
1.86365649999999... | [
[
3.727313,
0,
2.2823209674351595e-16
],
[
-2.8894745205462354e-16,
4.71887,
2.8894745205462354e-16
],
[
0,
0,
8.491485
]
] | [
59,
59,
51,
79,
79,
79
] | [
1,
1,
1
] | -0.828141 | 0 | 0.044909 | 25 | 25 | [
"Au",
"Pr",
"Sb"
] |
mp-1186955 | mp-1186955 | Sc2NiPd | # generated using pymatgen
data_Sc2NiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59595083
_cell_length_b 4.59595083
_cell_length_c 4.59595083
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc2NiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49965600
_cell_length_b 6.49965600
_cell_length_c 6.49965600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.980210173324175,
2.8144336041052083,
6.893926244999999
],
[
1.326736724441392,
0.9381445347017361,
2.297975414999999
],
[
2.653473448882783,
1.8762890694034722,
4.595950829999999
],
[
0,
0,
0
]
] | [
[
3.9802101733241755,
0,
2.2979754150000002
],
[
1.326736724441392,
3.7525781388069444,
2.2979754150000002
],
[
0,
0,
4.59595083
]
] | [
21,
21,
28,
46
] | [
1,
1,
1
] | -0.688305 | 0 | 0.019154 | 225 | 225 | [
"Ni",
"Pd",
"Sc"
] |
mp-1207080 | mp-1207080 | TbHSe | # generated using pymatgen
data_TbHSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86363693
_cell_length_b 3.86363693
_cell_length_c 3.92484800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001591
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbHSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86363693
_cell_length_b 3.86363693
_cell_length_c 3.92484800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9318180004371164,
1.1153360001983939,
3.924848000000001
],
[
-2.9858271409269825e-16,
2.230672000396788,
1.9624240000000004
]
] | [
[
3.8636360008742323,
0,
1.0944790024653023e-15
],
[
-1.9318180004371162,
3.3460080005951824,
2.3657952996960033e-16
],
[
0,
0,
3.924848
]
] | [
65,
1,
34
] | [
1,
1,
1
] | -1.662962 | 1.5536 | 0 | 187 | 187 | [
"H",
"Se",
"Tb"
] |
mp-3107 | mp-3107 | Ga3PO7 | # generated using pymatgen
data_Ga3PO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15268493
_cell_length_b 5.15268493
_cell_length_c 5.15268520
_cell_angle_alpha 102.03470130
_cell_angle_beta 102.03470130
_cell_angle_gamma 102.03469881
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ga3PO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01074018
_cell_length_b 8.01074018
_cell_length_c 6.81436636
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.066415340800693,
0.1299024258538851,
1.6723144014492304
],
[
1.548187354310363,
2.0276465324855155,
-0.7585169038073631
],
[
-0.4190424086397874,
2.0276465324855155,
1.6723144014492308
],
[
3.247686444540023,
4.253464633681326,
2.6282967009883467
],
... | [
[
5.0394366402645465,
0,
-1.074355777481686
],
[
-1.3275404593378288,
4.861435794090253,
-1.0743557774816863
],
[
0,
0,
5.1526852
]
] | [
31,
31,
31,
15,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.429278 | 3.1481 | 0.016049 | 160 | 160 | [
"Ga",
"P",
"O"
] |
mp-1216933 | mp-1216933 | U3(Ga2Cu)4 | # generated using pymatgen
data_U3(Ga2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09295100
_cell_length_b 4.09295100
_cell_length_c 16.07285336
_cell_angle_alpha 82.68496229
_cell_angle_beta 82.68496229
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_U3(Ga2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09295100
_cell_length_b 4.09295100
_cell_length_c 31.62027801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.983082321816732,
4.049268513815511,
14.955344590851439
],
[
1.3405706293308348,
1.3628507873737565,
10.443056829729056
],
[
2.661827174479553,
2.7060582975654848,
4.662771374652168
],
[
3.0300128966855038,
1.01681358257257,
7.530936995475075
],
[
... | [
[
4.059638715305052,
0,
-0.5211347134833227
],
[
-0.06689795358572145,
4.059087446348227,
-0.521134968223462
],
[
0,
0,
16.07285348737007
]
] | [
92,
92,
92,
31,
31,
31,
31,
31,
31,
31,
31,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.113085 | 0 | 0.062865 | 119 | 119 | [
"Cu",
"Ga",
"U"
] |
mp-998787 | mp-998787 | CaTlCl3 | # generated using pymatgen
data_CaTlCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23835322
_cell_length_b 7.23835322
_cell_length_c 10.34836500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.87309775
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CaTlCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12697600
_cell_length_b 13.87599000
_cell_length_c 10.34836500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
5.1741825
],
[
0,
0,
0
],
[
7.180408810936602e-16,
3.5910784597444234,
2.5870912500000003
],
[
2.0634879996857682,
3.346916539723161,
7.761273750000001
],
[
1.3142298903497325e-15,
5.152099582644633,
5.694094705965
],
[
2.06... | [
[
4.126975999371534,
0,
1.1690771527049533e-15
],
[
-2.0634879996857656,
6.937994999467584,
4.4322130509854686e-16
],
[
0,
0,
10.348365
]
] | [
20,
20,
81,
81,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.227676 | 4.2085 | 0 | 63 | 63 | [
"Ca",
"Cl",
"Tl"
] |
mp-752437 | mp-752437 | SmInO3 | # generated using pymatgen
data_SmInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62297300
_cell_length_b 5.95257100
_cell_length_c 8.23891700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmInO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62297300
_cell_length_b 5.95257100
_cell_length_c 8.23891700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.508168760259,
0.384161074627,
2.0597292500000006
],
[
2.6966822602589997,
2.592124425373,
6.1791877500000005
],
[
2.9262907397410003,
3.360446574627,
2.0597292500000006
],
[
0.11480423974099965,
5.568409925373,
6.1791877500000005
],
[
2.8114865... | [
[
5.622973,
0,
3.443077943070995e-16
],
[
-3.6448985109236795e-16,
5.952571,
3.6448985109236795e-16
],
[
0,
0,
8.238917
]
] | [
62,
62,
62,
62,
49,
49,
49,
49,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.899115 | 2.6397 | 0.030393 | 62 | 62 | [
"In",
"O",
"Sm"
] |
mp-568032 | mp-568032 | Cd(InSe2)2 | # generated using pymatgen
data_Cd(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91207500
_cell_length_b 5.91207500
_cell_length_c 6.07946000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cd(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91207500
_cell_length_b 5.91207500
_cell_length_c 6.07946000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.9560375,
0,
3.03973
],
[
-1.810050931267272e-16,
2.9560375,
3.03973
],
[
4.297670591825,
1.614404408175,
4.65396645758
],
[
1.614404408175,
1.614404408175,
1.4254935424200001
],
[
1.6144044081749997,
4.297670591... | [
[
5.912075,
0,
3.620101862534544e-16
],
[
-3.620101862534544e-16,
5.912075,
3.620101862534544e-16
],
[
0,
0,
6.07946
]
] | [
48,
49,
49,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.837559 | 1.6825 | 0.004211 | 111 | 111 | [
"Cd",
"In",
"Se"
] |
mp-1102857 | mp-1102857 | SbTeRu | # generated using pymatgen
data_SbTeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59071800
_cell_length_b 6.69418100
_cell_length_c 6.75814045
_cell_angle_alpha 65.60330259
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SbTeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69418100
_cell_length_b 6.59071800
_cell_length_c 6.75814045
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.39669741
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3761515605400008,
0.8593542739428297,
2.186584398428469
],
[
5.67151056054,
5.237086375481332,
-1.5725585978111416
],
[
4.2145664394599995,
5.237086375481332,
1.8065116271888582
],
[
0.9192074394600006,
0.8593542739428297,
5.565654623428468
],
[
... | [
[
6.590718,
0,
4.0356508513914226e-16
],
[
-3.7329932637545555e-16,
6.096440649424162,
-2.7650444243826735
],
[
0,
0,
6.75814045
]
] | [
51,
51,
51,
51,
52,
52,
52,
52,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.527424 | 0.8016 | 0 | 14 | 14 | [
"Ru",
"Sb",
"Te"
] |
mp-1025441 | mp-1025441 | Ta2AlC | # generated using pymatgen
data_Ta2AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10443065
_cell_length_b 3.10443065
_cell_length_c 13.93107400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001395
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ta2AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10443065
_cell_length_b 3.10443065
_cell_length_c 13.93107400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5522149977089053,
0.8961719987162039,
8.215572270020003
],
[
7.729372358290254e-18,
1.7923439974324076,
5.715501729980001
],
[
7.729372358290254e-18,
1.7923439974324076,
1.2500352700200001
],
[
1.5522149977089053,
0.8961719987162039,
12.681038729980001... | [
[
3.1044299954178105,
0,
8.794134447032372e-16
],
[
-1.5522149977089057,
2.688515996148612,
1.9009155293487184e-16
],
[
0,
0,
13.931074
]
] | [
73,
73,
73,
73,
13,
13,
6,
6
] | [
1,
1,
1
] | -0.524178 | 0 | 0 | 194 | 194 | [
"Ta",
"Al",
"C"
] |
mp-1072429 | mp-1072429 | Ga2Ru | # generated using pymatgen
data_Ga2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03642184
_cell_length_b 4.99981450
_cell_length_c 4.78290464
_cell_angle_alpha 76.16603876
_cell_angle_beta 53.53774555
_cell_angle_gamma 50.29621569
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_Ga2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78245400
_cell_length_b 8.28449400
_cell_length_c 8.78184000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
4.200030409647553,
0.6724358090140695,
4.787178733138021
],
[
4.200030409077222,
3.4698111911218747,
4.787178730455035
],
[
4.200030409499486,
1.398687691053904,
2.2872714838874284
],
[
2.1000152043329656,
2.743559309082041,
1.1436357399830903
],
[
... | [
[
4.200030409784651,
0,
2.287271485228921
],
[
2.1000152040477995,
4.142247000135943,
1.143635738641597
],
[
0,
0,
4.999814497108078
]
] | [
31,
31,
31,
31,
44,
44
] | [
1,
1,
1
] | -0.413386 | 0.1247 | 0 | 70 | 70 | [
"Ga",
"Ru"
] |
mp-755779 | mp-755779 | CaLaI5 | # generated using pymatgen
data_CaLaI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03820286
_cell_length_b 8.03820286
_cell_length_c 19.19137200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.62793947
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaLaI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48141000
_cell_length_b 15.43916401
_cell_length_c 19.19137200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.82254491470659e-16,
7.565144046447842,
14.393529000000003
],
[
2.240705001047341,
0.15443795757242934,
4.797843000000001
],
[
0,
0,
0
],
[
0,
0,
9.595686
],
[
8.168358320461642e-16,
1.464589976130741,
16.34951363424
],
[
1.07908... | [
[
4.481410002094681,
0,
1.2694801341588065e-15
],
[
-2.24070500104734,
7.719582004020271,
4.92197970169805e-16
],
[
0,
0,
19.191372
]
] | [
20,
20,
57,
57,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.785632 | 2.1812 | 0.072534 | 63 | 63 | [
"Ca",
"I",
"La"
] |
mp-7917 | mp-7917 | HfGeSe | # generated using pymatgen
data_HfGeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72562900
_cell_length_b 3.72562900
_cell_length_c 8.24794700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfGeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72562900
_cell_length_b 3.72562900
_cell_length_c 8.24794700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.1406449074151387e-16,
1.8628145,
6.0931708462500005
],
[
1.8628145,
0,
2.15477615375
],
[
0,
0,
0
],
[
1.8628144999999998,
1.8628145,
2.2812898148302774e-16
],
[
1.8628145,
0,
5.114378727813
],
[
-1.1406449074151387e-16,
1.... | [
[
3.725629,
0,
2.2812898148302774e-16
],
[
-2.2812898148302774e-16,
3.725629,
2.2812898148302774e-16
],
[
0,
0,
8.247947
]
] | [
72,
72,
32,
32,
34,
34
] | [
1,
1,
1
] | -1.090811 | 0 | 0 | 129 | 129 | [
"Hf",
"Ge",
"Se"
] |
mp-888 | mp-888 | CaAs | # generated using pymatgen
data_CaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91616029
_cell_length_b 7.91616029
_cell_length_c 5.92082700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000246
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91616029
_cell_length_b 7.91616029
_cell_length_c 5.92082700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
1.792833104069402e-15,
4.682776371681374,
2.7036024668190257
],
[
5.920827000000001,
2.172819369947642,
6.661682504053771
],
[
5.920827000000003,
6.855595741629015,
-1.4491240921814237
],
[
2.960413500000001,
2.393816354274795,
1.3820706535694092
],
... | [
[
5.920827,
0,
3.625460916927613e-16
],
[
2.6247119268897735e-15,
6.855595741629015,
-3.9580798506543133
],
[
0,
0,
7.91616029
]
] | [
20,
20,
20,
20,
20,
20,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -1.08918 | 0 | 0 | 189 | 189 | [
"Ca",
"As"
] |
mp-1213824 | mp-1213824 | Ce4Ge3 | # generated using pymatgen
data_Ce4Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78363541
_cell_length_b 7.78363541
_cell_length_c 7.78363541
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce4Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.98776800
_cell_length_b 8.98776800
_cell_length_c 8.98776800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.723509238092388,
4.2326416942743296e-16,
-1.6700127070427082
],
[
5.503861381762336,
3.1776558496384344,
-2.7735972919559253
],
[
1.3074863021286964,
4.090678994291648,
0.9245324301594349
],
[
1.0542683169174958,
1.7236351174436314e-15,
-0.372740138134... | [
[
7.338481842349783,
0,
-2.5945451378170072
],
[
-3.669240921174892,
6.355311699276869,
-2.5945451360914964
],
[
0,
0,
7.78363541
]
] | [
58,
58,
58,
58,
58,
58,
58,
58,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.697003 | 0 | 0 | 220 | 220 | [
"Ce",
"Ge"
] |
mp-551816 | mp-551816 | YBi2IO4 | # generated using pymatgen
data_YBi2IO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95211000
_cell_length_b 3.95211000
_cell_length_c 9.68900400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YBi2IO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95211000
_cell_length_b 3.95211000
_cell_length_c 9.68900400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9760549999999997,
1.976055,
2.4951123100800006
],
[
1.9760549999999997,
1.976055,
7.193891689920001
],
[
0,
0,
4.844502
],
[
1.976055,
0,
1.3868065205280002
],
[
1.976055,
0,
8.302197479472
],
[
-1.2... | [
[
3.95211,
0,
2.419969430689123e-16
],
[
-2.419969430689123e-16,
3.95211,
2.419969430689123e-16
],
[
0,
0,
9.689004
]
] | [
39,
83,
83,
53,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.313853 | 1.4507 | 0 | 123 | 123 | [
"Bi",
"I",
"O",
"Y"
] |
mp-865000 | mp-865000 | HfScIr2 | # generated using pymatgen
data_HfScIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61057804
_cell_length_b 4.61057804
_cell_length_c 4.61057804
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HfScIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52034199
_cell_length_b 6.52034199
_cell_length_c 6.52034199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.661918472513777,
1.8822606028802278,
4.61057804
],
[
0,
0,
0
],
[
3.9928777087706657,
2.8233909043203416,
6.91586706
],
[
1.3309592362568883,
0.941130301440113,
2.3052890199999996
]
] | [
[
3.9928777087706657,
0,
2.3052890200000005
],
[
1.3309592362568885,
3.7645212057604556,
2.30528902
],
[
0,
0,
4.61057804
]
] | [
72,
21,
77,
77
] | [
1,
1,
1
] | -0.994419 | 0 | 0.008809 | 225 | 225 | [
"Hf",
"Sc",
"Ir"
] |
mp-1079335 | mp-1079335 | Er(NiB)2 | # generated using pymatgen
data_Er(NiB)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93348803
_cell_length_b 4.93348803
_cell_length_c 6.88251306
_cell_angle_alpha 59.32189872
_cell_angle_beta 59.32189872
_cell_angle_gamma 63.79703983
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er(NiB)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.37691801
_cell_length_b 5.21387200
_cell_length_c 6.88251306
_cell_angle_alpha 90.00000000
_cell_angle_beta 126.93936008
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.5934332682001713,
3.5599278123444478,
3.437151895762325
],
[
3.9159479922717204,
0.5394918228279592,
0.4177843478507395
],
[
3.06304796194067,
0.6824426849260556,
3.2901608703149403
],
[
0.943446348937132,
2.1410243899596693,
3.7633600265783786
],
... | [
[
4.813733879405942,
0,
-1.0804028324716226
],
[
-2.491219155334393,
4.099419635172407,
-1.152341059327143
],
[
0,
0,
6.087680135411831
]
] | [
68,
68,
28,
28,
28,
28,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.570813 | 0 | 0 | 15 | 15 | [
"B",
"Er",
"Ni"
] |
mp-4941 | mp-4941 | Sr2SnO4 | # generated using pymatgen
data_Sr2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92674954
_cell_length_b 6.92674954
_cell_length_c 5.91903600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 130.49971115
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79993400
_cell_length_b 12.58094600
_cell_length_c 5.91903600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7754108671487419,
2.873123750544,
1.6819850445566702
],
[
4.4917534842039695,
3.045912249456,
2.816552371729807
],
[
1.858171308527616,
5.832641750543999,
4.030658433586568
],
[
3.4089930428250943,
0.086394249456,
0.4678789826999083
],
[
2.6335... | [
[
5.267164351352708,
0,
-2.4282121237135237
],
[
2.2661435957421776e-15,
5.919036,
3.6243642457189764e-16
],
[
0,
0,
6.92674954
]
] | [
38,
38,
38,
38,
50,
50,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.784019 | 2.7165 | 0.002095 | 64 | 64 | [
"O",
"Sn",
"Sr"
] |
mp-1102923 | mp-1102923 | EuCdGe | # generated using pymatgen
data_EuCdGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57988400
_cell_length_b 7.59749600
_cell_length_c 8.62032500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuCdGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57988400
_cell_length_b 7.59749600
_cell_length_c 8.62032500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.144971,
0.14408651164,
2.6803004115999998
],
[
1.1449709999999997,
3.9428345116399997,
1.6298620884000001
],
[
3.4349129999999994,
7.453409488359999,
5.9400245884
],
[
3.4349129999999994,
3.65466148836,
6.9904629116
],
[
1.144971,
1.1333108... | [
[
4.579884,
0,
2.804370140533088e-16
],
[
-4.652124578967409e-16,
7.597496,
4.652124578967409e-16
],
[
0,
0,
8.620325
]
] | [
63,
63,
63,
63,
48,
48,
48,
48,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.508076 | 0 | 0 | 62 | 62 | [
"Cd",
"Eu",
"Ge"
] |
mp-30611 | mp-30611 | ErSnPt2 | # generated using pymatgen
data_ErSnPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55192502
_cell_length_b 4.55192502
_cell_length_c 9.05397800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErSnPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55192502
_cell_length_b 4.55192502
_cell_length_c 9.05397800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-3.1648476425803194e-16,
2.628055332257016,
2.2634945000000006
],
[
2.2759619991427362,
1.314027666128508,
6.7904835000000014
],
[
0,
0,
4.526989
],
[
0,
0,
0
],
[
-3.1648476425803194e-16,
2.628055332257016,
8.239753758460001
],
[
... | [
[
4.5519239982854725,
0,
1.289455123571183e-15
],
[
-2.275961999142736,
3.9420829983855232,
2.787250202850876e-16
],
[
0,
0,
9.053978
]
] | [
68,
68,
50,
50,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.009222 | 0 | 0 | 194 | 194 | [
"Er",
"Sn",
"Pt"
] |
mp-1003484 | mp-1003484 | MgMn4O8 | # generated using pymatgen
data_MgMn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27966830
_cell_length_b 5.81958106
_cell_length_c 5.97625402
_cell_angle_alpha 62.40228677
_cell_angle_beta 89.56145398
_cell_angle_gamma 71.90099791
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgMn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27966830
_cell_length_b 5.81958106
_cell_length_c 6.11223179
_cell_angle_alpha 60.05516864
_cell_angle_beta 73.24367895
_cell_angle_gamma 71.90099791
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5334200614890197,
2.4188165192020263,
2.8622876186912336
],
[
1.980643964110773,
4.761630631269625,
5.686396970229193
],
[
6.1643392144736895,
2.426290976173553,
7.346384833632895
],
[
5.086025481094527,
0.0766264880077781,
6.014609662643523
],
[
... | [
[
5.279513646552516,
0,
0.040410566571680705
],
[
1.7873276309949742,
4.837836227525608,
2.695982991235926
],
[
0,
0,
5.97625402
]
] | [
12,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.070466 | 0 | 0.037405 | 2 | 2 | [
"Mg",
"Mn",
"O"
] |
mp-39 | mp-39 | Tl | # generated using pymatgen
data_Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43252633
_cell_length_b 3.43252633
_cell_length_c 3.43252633
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96354000
_cell_length_b 3.96354000
_cell_length_c 3.96354000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl
_... | [
[
0,
0,
0
]
] | [
[
3.236216860020239,
0,
-1.1441754438406253
],
[
-1.6181084300101196,
2.8026460123117323,
-1.1441754430796875
],
[
0,
0,
3.43252633
]
] | [
81
] | [
1,
1,
1
] | 0.00099 | 0 | 0.00099 | 229 | 229 | [
"Tl"
] |
mp-755430 | mp-755430 | Co3OF5 | # generated using pymatgen
data_Co3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73155800
_cell_length_b 5.67537138
_cell_length_c 7.83299125
_cell_angle_alpha 86.21050918
_cell_angle_beta 88.69669061
_cell_angle_gamma 88.04059410
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Co3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73155800
_cell_length_b 5.67537138
_cell_length_c 7.83299125
_cell_angle_alpha 86.21050918
_cell_angle_beta 88.69669061
_cell_angle_gamma 88.04059410
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.523116634298903,
2.8177523699386566,
8.02513272311875
],
[
2.636506673396543,
4.608959091775112,
5.535074439267205
],
[
2.3691257963183627,
0.9363604566611191,
2.7356963294306422
],
[
4.791358235814558,
3.771703863062615,
3.041432905006298
],
[
... | [
[
4.730333932887621,
0,
0.10761965775790588
],
[
0.18556554819759885,
5.659921641840212,
0.3750903044255219
],
[
0,
0,
7.83299125
]
] | [
27,
27,
27,
27,
27,
27,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.073838 | 0.102 | 0.065984 | 1 | 1 | [
"Co",
"F",
"O"
] |
mp-556120 | mp-556120 | RbTl(SO4)2 | # generated using pymatgen
data_RbTl(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.26504997
_cell_length_b 9.26504997
_cell_length_c 9.26504993
_cell_angle_alpha 31.38542670
_cell_angle_beta 31.38542670
_cell_angle_gamma 31.38542281
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_RbTl(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01198429
_cell_length_b 5.01198429
_cell_length_c 26.40474188
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
3.5236605922480644,
2.1415117707674707,
5.988156558849402
],
[
5.350319195948276,
3.2516671897097855,
8.751488165419538
],
[
1.697001988547852,
1.0313563518251552,
3.2248249522792705
],
[
4.959939886254297,
3.014413383649999,
... | [
[
4.825168653048481,
0,
1.3556315938494017
],
[
2.2221525314476476,
4.2830235415349405,
1.3556315938494017
],
[
0,
0,
9.26504993
]
] | [
37,
81,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.922524 | 1.9891 | 0 | 155 | 155 | [
"O",
"Rb",
"S",
"Tl"
] |
mp-849495 | mp-849495 | Li4Mn2Cu3O10 | # generated using pymatgen
data_Li4Mn2Cu3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04322000
_cell_length_b 5.38735036
_cell_length_c 7.60300376
_cell_angle_alpha 104.48031718
_cell_angle_beta 102.75673425
_cell_angle_gamma 105.40018923
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Li4Mn2Cu3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04322000
_cell_length_b 5.38735036
_cell_length_c 7.60300376
_cell_angle_alpha 104.48031718
_cell_angle_beta 102.75673425
_cell_angle_gamma 105.40018923
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
-0.49902790425550125,
4.41510107932102,
1.5546984076557568
],
[
1.4279324959635915,
1.4372205676286705,
5.068152132920655
],
[
1.7189514549734943,
3.4688397831116333,
0.07415481986645896
],
[
3.6459118551925873,
0.49095927141928364,
3.587608545131358
]... | [
[
4.9187350443652464,
0,
-1.113603848652307
],
[
-1.7718510934281606,
4.9060603507403036,
-1.3470929585605782
],
[
0,
0,
7.60300376
]
] | [
3,
3,
3,
3,
25,
25,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.622026 | 0 | 0.074178 | 2 | 2 | [
"Cu",
"Li",
"Mn",
"O"
] |
mp-556231 | mp-556231 | In2GaBiS6 | # generated using pymatgen
data_In2GaBiS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84281200
_cell_length_b 11.38224500
_cell_length_c 12.46611366
_cell_angle_alpha 63.25559628
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_In2GaBiS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.38224500
_cell_length_b 3.84281200
_cell_length_c 12.46611366
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.74440372
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.8821089999999994,
7.544790212923953,
5.875406006810567
],
[
0.9607029999999999,
2.6198152465087174,
1.4685697114607505
],
[
0.960703,
0.5194723266097658,
7.755709289869734
],
[
2.8821089999999994,
9.645133132822904,
-0.41173357159841645
],
[
2.... | [
[
3.842812,
0,
2.3530437077625195e-16
],
[
-6.224025770244965e-16,
10.16460545943267,
-5.122137941728683
],
[
0,
0,
12.46611366
]
] | [
49,
49,
49,
49,
31,
31,
83,
83,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.829895 | 1.8707 | 0.001302 | 11 | 11 | [
"Bi",
"Ga",
"In",
"S"
] |
mp-1219937 | mp-1219937 | Pr2Al7Cu | # generated using pymatgen
data_Pr2Al7Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27454500
_cell_length_b 4.27454500
_cell_length_c 11.01248900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr2Al7Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27454500
_cell_length_b 4.27454500
_cell_length_c 11.01248900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
10.989814285149
],
[
2.1372725,
2.1372725,
5.478977577236001
],
[
-1.3087019630153306e-16,
2.1372725,
2.620597957374
],
[
2.1372725,
0,
8.306037678382
],
[
2.1372725,
0,
2.620597957374
],
[
-1.3087019630153306e-16,
2.137... | [
[
4.274545,
0,
2.617403926030661e-16
],
[
-2.617403926030661e-16,
4.274545,
2.617403926030661e-16
],
[
0,
0,
11.012489
]
] | [
59,
59,
13,
13,
13,
13,
13,
13,
13,
29
] | [
1,
1,
1
] | -0.393002 | 0 | 0.018431 | 99 | 99 | [
"Al",
"Cu",
"Pr"
] |
mp-1184420 | mp-1184420 | Eu5Mg | # generated using pymatgen
data_Eu5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82864705
_cell_length_b 9.82864705
_cell_length_c 6.16969200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 156.48498198
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00556800
_cell_length_b 19.24486000
_cell_length_c 6.16969200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.908200932095259,
7.073838841255448e-32,
8.948410230499825
],
[
1.2743980023195385,
7.073838841255448e-32,
6.1228797350702
],
[
2.607509096079122,
6.169692,
2.6992010589386792
],
[
1.723130411303061,
3.0848459999999998,
8.278826753531966
],
[
0.... | [
[
3.921526278389226,
0,
-0.8162148321480144
],
[
9.921621446728747e-16,
6.169692,
3.7778467797625164e-16
],
[
0,
0,
9.82864705
]
] | [
63,
63,
63,
63,
63,
12
] | [
1,
1,
1
] | 0.035207 | 0 | 0.060986 | 38 | 38 | [
"Eu",
"Mg"
] |
mp-1214809 | mp-1214809 | Al6GeW | # generated using pymatgen
data_Al6GeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03502900
_cell_length_b 5.03502900
_cell_length_c 5.03502900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Al6GeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03502900
_cell_length_b 5.03502900
_cell_length_c 5.03502900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.235883113253,
0,
2.5175145
],
[
3.7991458867469996,
0,
2.5175145000000003
],
[
2.5175145,
1.235883113253,
2.298293186498801e-16
],
[
2.5175144999999994,
3.7991458867469996,
3.8678389619652976e-16
],
[
-1.5415330371160246e-16,
2.5175145,
... | [
[
5.035029,
0,
3.0830660742320493e-16
],
[
-3.0830660742320493e-16,
5.035029,
3.0830660742320493e-16
],
[
0,
0,
5.035029
]
] | [
13,
13,
13,
13,
13,
13,
32,
74
] | [
1,
1,
1
] | -0.102558 | 0 | 0.019586 | 200 | 200 | [
"Al",
"Ge",
"W"
] |
mp-41 | mp-41 | Zr | # generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10320631
_cell_length_b 3.10320631
_cell_length_c 3.10320631
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58327400
_cell_length_b 3.58327400
_cell_length_c 3.58327400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr
_... | [
[
0,
0,
0
]
] | [
[
2.9257309675300265,
0,
-1.034402103791955
],
[
-1.4628654837650135,
2.533757341958133,
-1.0344021031040225
],
[
0,
0,
3.10320631
]
] | [
40
] | [
1,
1,
1
] | 0.074562 | 0 | 0.074562 | 229 | 229 | [
"Zr"
] |
mp-5615 | mp-5615 | CaAgAs | # generated using pymatgen
data_CaAgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26632745
_cell_length_b 7.26632745
_cell_length_c 4.31269500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999495
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaAgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26632745
_cell_length_b 7.26632745
_cell_length_c 4.31269500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1563474999999994,
1.8394006610475863e-16,
4.2685749951927
],
[
2.156347500000001,
3.69669457191014,
-2.1342878234197737
],
[
2.1563475000000003,
2.5961299122299173,
1.498875998583033
],
[
4.312695000000002,
6.292824484140057,
-1.8117357767348923
],
... | [
[
4.312695,
0,
2.640764063724397e-16
],
[
2.409251084781975e-15,
6.292824484140057,
-3.6331642796440424
],
[
0,
0,
7.266327450000001
]
] | [
20,
20,
20,
47,
47,
47,
33,
33,
33
] | [
1,
1,
1
] | -0.789099 | 0.1257 | 0 | 189 | 189 | [
"Ca",
"Ag",
"As"
] |
mp-19939 | mp-19939 | La(CoGe)2 | # generated using pymatgen
data_La(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88793195
_cell_length_b 5.88793195
_cell_length_c 5.88793195
_cell_angle_alpha 139.13683843
_cell_angle_beta 139.13683843
_cell_angle_gamma 59.16626239
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_La(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11082000
_cell_length_b 4.11082000
_cell_length_c 10.24076601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.7555085375806185,
0.9537333346953959,
1.508925519554587
],
[
0.562111298010296,
2.8612000040861885,
1.5089255196747033
],
[
2.1127996513373892,
2.429509777336342,
-0.21635529957324026
],
[
1.204820184253525,
1.3854235614452426,... | [
[
3.85220715736578,
0,
-1.435040455505471
],
[
-0.534587321774865,
3.8149333387815845,
-1.4350404552652385
],
[
0,
0,
5.88793195
]
] | [
57,
27,
27,
32,
32
] | [
1,
1,
1
] | -0.591126 | 0 | 0 | 139 | 139 | [
"Co",
"Ge",
"La"
] |
mp-1223066 | mp-1223066 | La4Mn3Sb8 | # generated using pymatgen
data_La4Mn3Sb8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57663064
_cell_length_b 11.57663064
_cell_length_c 11.57663064
_cell_angle_alpha 148.58706913
_cell_angle_beta 148.58706913
_cell_angle_gamma 45.01947589
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_La4Mn3Sb8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26779800
_cell_length_b 6.26779800
_cell_length_c 21.38931800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.448685661991561,
3.733093324114498,
6.461234512387749
],
[
0.6635443157860581,
0.7182657679750917,
8.162154936864905
],
[
5.1322373332208935,
2.28177723632675,
0.8714362887341286
],
[
1.8687817077354514,
5.296604792466156,
0.8714362882702967
],
[
... | [
[
6.033765974924581,
0,
-1.696749812973035
],
[
-0.4771414655575989,
6.014870560441248,
-1.6967498138984252
],
[
0,
0,
11.57663064
]
] | [
57,
57,
57,
57,
25,
25,
25,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.748034 | 0 | 0.055243 | 121 | 121 | [
"La",
"Mn",
"Sb"
] |
mp-1215939 | mp-1215939 | YCuSi2Ni | # generated using pymatgen
data_YCuSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65514348
_cell_length_b 5.65514348
_cell_length_c 5.65514348
_cell_angle_alpha 138.77993226
_cell_angle_beta 138.77993226
_cell_angle_gamma 59.71057126
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_YCuSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98128400
_cell_length_b 3.98128400
_cell_length_c 9.80924801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0.5363349366920378,
2.7667609447525034,
1.4261375967227057
],
[
1.9902943359213907,
2.294854819986331,
-0.36286548660353024
],
[
1.2091345715811899,
1.3941597730170077,
3.2151406798188984
],
[
2.6630939708105434,
0.92225364825083... | [
[
3.726473487869795,
0,
-1.4014341436223596
],
[
-0.5270445803672146,
3.6890145930033382,
-1.401434143162272
],
[
0,
0,
5.65514348
]
] | [
39,
29,
14,
14,
28
] | [
1,
1,
1
] | -0.690849 | 0 | 0.009027 | 119 | 119 | [
"Cu",
"Ni",
"Si",
"Y"
] |
mp-1061861 | mp-1061861 | TiPd2 | # generated using pymatgen
data_TiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92863898
_cell_length_b 4.92863898
_cell_length_c 4.92863898
_cell_angle_alpha 143.94294187
_cell_angle_beta 138.01741366
_cell_angle_gamma 56.51082670
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05073400
_cell_length_b 3.53113400
_cell_length_c 8.68274401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
0.8493416875752182,
1.1160722324898253,
2.609582939696133
],
[
1.639907229715371,
2.154910031756271,
0.10993853474207341
]
] | [
[
2.900950683248196,
0,
-0.9441732280406143
],
[
-0.41170176595760727,
3.2709822642460966,
-1.2649442775211774
],
[
0,
0,
4.928638979999999
]
] | [
22,
46,
46
] | [
1,
1,
1
] | -0.631539 | 0 | 0 | 71 | 71 | [
"Pd",
"Ti"
] |
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