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-11652 | mp-11652 | Yb3PbO | # generated using pymatgen
data_Yb3PbO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79564300
_cell_length_b 4.79564300
_cell_length_c 4.79564300
_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_Yb3PbO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79564300
_cell_length_b 4.79564300
_cell_length_c 4.79564300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3978215,
0,
2.3978215
],
[
-1.4682422124508527e-16,
2.3978215,
2.3978215
],
[
2.3978215,
2.3978215,
2.9364844249017053e-16
],
[
0,
0,
0
],
[
2.3978215,
2.3978215,
2.3978215000000005
]
] | [
[
4.795643,
0,
2.9364844249017053e-16
],
[
-2.9364844249017053e-16,
4.795643,
2.9364844249017053e-16
],
[
0,
0,
4.795643
]
] | [
70,
70,
70,
82,
8
] | [
1,
1,
1
] | -1.843687 | 0.6548 | 0 | 221 | 221 | [
"Yb",
"Pb",
"O"
] |
mp-1183088 | mp-1183088 | Ac3Yb | # generated using pymatgen
data_Ac3Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88492328
_cell_length_b 6.88492328
_cell_length_c 6.88492328
_cell_angle_alpha 132.40138986
_cell_angle_beta 132.40138986
_cell_angle_gamma 69.59580927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ac3Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55660400
_cell_length_b 5.55660400
_cell_length_c 11.30738600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5658391316673272,
1.2467469072311161,
1.2001818953998664
],
[
0.5293258994200265,
3.7402407216933486,
1.2001818954867556
],
[
2.0475825155436764,
2.4934938144622323,
-2.242279744556688
],
[
0,
0,
0
]
] | [
[
5.084095747790976,
0,
-2.2422797446435774
],
[
-0.9889307167036233,
4.9869876289244655,
-2.2422797444698
],
[
0,
0,
6.88492328
]
] | [
89,
89,
89,
70
] | [
1,
1,
1
] | 0.036499 | 0 | 0.036499 | 139 | 139 | [
"Ac",
"Yb"
] |
mp-1213694 | mp-1213694 | Cs3Tl2Br9 | # generated using pymatgen
data_Cs3Tl2Br9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04157951
_cell_length_b 8.04157951
_cell_length_c 9.84161200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999596
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs3Tl2Br9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04157951
_cell_length_b 8.04157951
_cell_length_c 9.84161200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.02079000052783,
2.321404000152285,
3.308326765084002
],
[
8.866396505489275e-16,
4.64280800030457,
6.533285234916001
],
[
0,
0,
0
],
[
4.02079000052783,
2.321404000152285,
7.987275150184002
],
[
8.866396505489275e-16,
4.64280800030457,
... | [
[
8.04158000105566,
0,
2.277994214726446e-15
],
[
-4.02079000052783,
6.964212000456854,
4.924047303505221e-16
],
[
0,
0,
9.841612
]
] | [
55,
55,
55,
81,
81,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.433697 | 0.2108 | 0.019265 | 164 | 164 | [
"Br",
"Cs",
"Tl"
] |
mp-866022 | mp-866022 | CdPt3 | # generated using pymatgen
data_CdPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04882100
_cell_length_b 4.04882100
_cell_length_c 4.04882100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CdPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04882100
_cell_length_b 4.04882100
_cell_length_c 4.04882100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0,
0,
0
],
[
-1.2395939194926466e-16,
2.0244105,
2.0244105
],
[
2.0244105,
0,
2.0244105
],
[
2.0244105,
2.0244105,
2.479187838985293e-16
]
] | [
[
4.048821,
0,
2.479187838985293e-16
],
[
-2.479187838985293e-16,
4.048821,
2.479187838985293e-16
],
[
0,
0,
4.048821
]
] | [
48,
78,
78,
78
] | [
1,
1,
1
] | -0.165518 | 0 | 0.013585 | 221 | 221 | [
"Cd",
"Pt"
] |
mp-1969 | mp-1969 | NbSb2 | # generated using pymatgen
data_NbSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49377075
_cell_length_b 5.49377075
_cell_length_c 8.42533282
_cell_angle_alpha 61.89698353
_cell_angle_beta 61.89698353
_cell_angle_gamma 39.08459713
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NbSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.35460199
_cell_length_b 3.67536200
_cell_length_c 8.42533282
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.99023667
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9764178467249054,
4.552231186606106,
7.2570482238796306
],
[
3.2079028260844695,
0.5803050805046046,
2.3242790029885176
],
[
1.932206750764262,
1.5475879979405573,
7.434137784070566
],
[
3.2521139220451136,
3.584948269170154,
2.1471894427975835
],
... | [
[
3.5659150945141143,
0,
0.8902445421463212
],
[
1.618405578295261,
5.132536267110711,
1.1042426836939447
],
[
0,
0,
7.586840001027883
]
] | [
41,
41,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.398489 | 0 | 0 | 12 | 12 | [
"Nb",
"Sb"
] |
mp-1226681 | mp-1226681 | CeAl4Cu2Si | # generated using pymatgen
data_CeAl4Cu2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22464200
_cell_length_b 4.22358300
_cell_length_c 7.83721500
_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_CeAl4Cu2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22358300
_cell_length_b 4.22464200
_cell_length_c 7.83721500
_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,
0.008377982834999895
],
[
2.1117914999999994,
4.224642,
2.62777116621
],
[
-1.293423575710868e-16,
2.112321,
5.309141045805
],
[
2.1117914999999994,
4.224642,
5.340333161505
],
[
2.1117915,
2.112321,
1.0868179529100008
],
[
... | [
[
4.223583,
0,
2.5861987009415876e-16
],
[
-2.586847151421736e-16,
4.224642,
2.586847151421736e-16
],
[
0,
0,
7.837215
]
] | [
58,
13,
13,
13,
13,
29,
29,
14
] | [
1,
1,
1
] | -0.290593 | 0 | 0.07333 | 25 | 25 | [
"Al",
"Ce",
"Cu",
"Si"
] |
mp-1228350 | mp-1228350 | Ba2ScCuO4 | # generated using pymatgen
data_Ba2ScCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17695600
_cell_length_b 4.17695600
_cell_length_c 8.07885700
_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_Ba2ScCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17695600
_cell_length_b 4.17695600
_cell_length_c 8.07885700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.088478,
2.088478,
6.204376362289
],
[
2.088478,
2.088478,
1.8744806377110002
],
[
0,
0,
0
],
[
0,
0,
4.0394285
],
[
-1.2788239488948328e-16,
2.088478,
1.2788239488948328e-16
],
[
2.088478,
0,
1.2788239488948328e-16
],
... | [
[
4.176956,
0,
2.5576478977896656e-16
],
[
-2.5576478977896656e-16,
4.176956,
2.5576478977896656e-16
],
[
0,
0,
8.078857
]
] | [
56,
56,
21,
29,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.879964 | 2.0282 | 0 | 123 | 123 | [
"Ba",
"Cu",
"O",
"Sc"
] |
mp-1187640 | mp-1187640 | Tm5Mg | # generated using pymatgen
data_Tm5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50212882
_cell_length_b 6.50212882
_cell_length_c 6.50212935
_cell_angle_alpha 55.32790023
_cell_angle_beta 55.32790023
_cell_angle_gamma 55.32789910
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_Tm5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03768018
_cell_length_b 6.03768018
_cell_length_c 16.46628025
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0869251110226226,
3.3051863821121006,
2.803204079520781
],
[
3.546550490180564,
3.556679433464105e-17,
1.8591354032116134
],
[
0.6530241608318017,
1.6783731444871484,
0.9440686763091678
],
[
6.064561038441482,
4.147821577548082,
7.9374208867754
],
... | [
[
5.34748829220643,
0,
2.803204079520781
],
[
1.9390114698285585,
4.983559526599249,
2.803204079520781
],
[
0,
0,
6.50212935
]
] | [
69,
69,
69,
69,
69,
12
] | [
1,
1,
1
] | 0.020914 | 0 | 0.041145 | 155 | 155 | [
"Mg",
"Tm"
] |
mp-2395 | mp-2395 | Sb3Rh | # generated using pymatgen
data_Sb3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12489099
_cell_length_b 8.12489099
_cell_length_c 8.12489099
_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_Sb3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.38181600
_cell_length_b 9.38181600
_cell_length_c 9.38181600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
2.0129949237973443,
1.0279763259363737,
2.682411093656981
],
[
1.8171154205659186,
5.605969387625283,
0.025885902409297196
],
[
-0.6301106033029222,
5.605969387625283,
-1.7045642134452752
],
[
4.460220947666184,
1.0279763259363737,
4.412861209511553
],... | [
[
7.660220688726525,
0,
-2.708296997867442
],
[
-3.830110344363263,
6.633945713561657,
-2.70829699606628
],
[
0,
0,
8.12489099
]
] | [
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.540042 | 0.2251 | 0 | 204 | 204 | [
"Sb",
"Rh"
] |
mp-1183694 | mp-1183694 | Cs | # generated using pymatgen
data_Cs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53071716
_cell_length_b 5.53071716
_cell_length_c 5.53071716
_cell_angle_alpha 121.91280232
_cell_angle_beta 121.91280232
_cell_angle_gamma 86.71767574
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs... | # generated using pymatgen
data_Cs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37005000
_cell_length_b 5.37005000
_cell_length_c 8.04241600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs
_... | [
[
0,
0,
0
]
] | [
[
4.694769120598662,
0,
-2.6070251100721187
],
[
-1.4476920474678607,
4.4659875541654985,
-2.607025109585722
],
[
0,
0,
5.53071716
]
] | [
55
] | [
1,
1,
1
] | 0.037366 | 0 | 0.037366 | 139 | 139 | [
"Cs"
] |
mp-21251 | mp-21251 | UGa5Ni | # generated using pymatgen
data_UGa5Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25293200
_cell_length_b 4.25293200
_cell_length_c 6.80159500
_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_UGa5Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25293200
_cell_length_b 4.25293200
_cell_length_c 6.80159500
_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
],
[
2.126466,
0,
2.073078544835
],
[
-1.302084890197838e-16,
2.126466,
2.073078544835
],
[
-1.302084890197838e-16,
2.126466,
4.728516455165
],
[
2.126466,
0,
4.728516455165
],
[
2.126466,
2.126466,
2.6041697803956... | [
[
4.252932,
0,
2.604169780395676e-16
],
[
-2.604169780395676e-16,
4.252932,
2.604169780395676e-16
],
[
0,
0,
6.801595
]
] | [
92,
31,
31,
31,
31,
31,
28
] | [
1,
1,
1
] | -0.324137 | 0 | 0 | 123 | 123 | [
"U",
"Ga",
"Ni"
] |
mp-1103788 | mp-1103788 | Sr(NiP2)2 | # generated using pymatgen
data_Sr(NiP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.61655449
_cell_length_b 9.82918328
_cell_length_c 5.43947601
_cell_angle_alpha 82.75275193
_cell_angle_beta 66.69893548
_cell_angle_gamma 30.54831259
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr(NiP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19413400
_cell_length_b 9.55890000
_cell_length_c 18.95975600
_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
],
[
5.009547108085955,
2.389724999480659,
6.286985826212587
],
[
3.104010567897496,
0,
8.328030642263352
],
[
1.9055365374971034,
0,
2.873546821987737
],
[
1.9055365401884599,
2.389724999480659,
7.788138462195806
],
[
3.1... | [
[
5.009547105394599,
0,
1.3723941860045186
],
[
2.5047735580800103,
4.779449998961318,
0.6861970951718245
],
[
0,
0,
9.82918327824657
]
] | [
38,
38,
28,
28,
28,
28,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.642033 | 0 | 0 | 70 | 70 | [
"Ni",
"P",
"Sr"
] |
mp-755080 | mp-755080 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72480700
_cell_length_b 5.61313419
_cell_length_c 7.72537299
_cell_angle_alpha 84.83272111
_cell_angle_beta 86.07994704
_cell_angle_gamma 85.83653611
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72480700
_cell_length_b 5.61313419
_cell_length_c 7.72537299
_cell_angle_alpha 84.83272111
_cell_angle_beta 86.07994704
_cell_angle_gamma 85.83653611
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6616752829366237,
2.8257903280558665,
0.4951934000891671
],
[
2.8271583782758487,
4.713638679880246,
5.715813528139527
],
[
2.3800262196018243,
0.899326807569943,
2.823294172435554
],
[
4.812206817990782,
1.797197807105701,
5.679161608765923
],
[
... | [
[
4.713752903190933,
0,
0.3230089084035448
],
[
0.37383963501199796,
5.577808560095905,
0.5055403338625948
],
[
0,
0,
7.72537299
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.23241 | 0.0552 | 0.057793 | 1 | 1 | [
"F",
"Mn",
"O"
] |
mp-1183850 | mp-1183850 | CeBi3 | # generated using pymatgen
data_CeBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48446777
_cell_length_b 6.48446777
_cell_length_c 6.48446777
_cell_angle_alpha 137.48484564
_cell_angle_beta 137.48484564
_cell_angle_gamma 61.69290450
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70203400
_cell_length_b 4.70203400
_cell_length_c 11.13440800
_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
],
[
3.120777833681202,
1.0829074299282055,
1.537458371229261
],
[
0.5981189459165837,
3.2487222897846166,
1.5374583714105499
],
[
1.8594483897988927,
2.165814859856411,
-1.7047755136800946
]
] | [
[
4.382107277563511,
0,
-1.7047755138613834
],
[
-0.6632104979657256,
4.331629719712822,
-1.7047755134988059
],
[
0,
0,
6.48446777
]
] | [
58,
83,
83,
83
] | [
1,
1,
1
] | -0.439328 | 0 | 0 | 139 | 139 | [
"Bi",
"Ce"
] |
mp-1212876 | mp-1212876 | Er2Si5Rh3 | # generated using pymatgen
data_Er2Si5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12852914
_cell_length_b 8.12852914
_cell_length_c 8.12852914
_cell_angle_alpha 138.60995482
_cell_angle_beta 104.86355738
_cell_angle_gamma 89.61359197
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Er2Si5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74514000
_cell_length_b 9.91202000
_cell_length_c 11.53417400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
6.720929598889228,
6.761761956455242,
6.594497417529219
],
[
0.9365197823508163,
0.7557589269737687,
5.649442023149714
],
[
2.8103899361281472,
2.7336186714039425,
8.817622647499865
],
[
4.847061728127962,
4.783909729545953,
3.4263188782937846
],
[
... | [
[
5.374433315276344,
0,
2.0302955824014255
],
[
2.2830160659637,
7.517520883429013,
2.0851147185681267
],
[
0,
0,
8.12852913970938
]
] | [
68,
68,
68,
68,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.957607 | 0 | 0 | 72 | 72 | [
"Er",
"Rh",
"Si"
] |
mp-1224883 | mp-1224883 | FePd3 | # generated using pymatgen
data_FePd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97590175
_cell_length_b 8.97590175
_cell_length_c 8.97590115
_cell_angle_alpha 17.80335457
_cell_angle_beta 17.80335457
_cell_angle_gamma 17.80335684
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_FePd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77784978
_cell_length_b 2.77784978
_cell_length_c 26.49437546
_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
],
[
1.0417949333364387,
0.6113182139198278,
2.3244113405775506
],
[
2.0414622516478715,
1.197916228547352,
4.917792507238526
],
[
3.041129569959305,
1.7845142431748762,
7.511173673899503
]
] | [
[
2.744391384654752,
0,
0.4298419322385278
],
[
1.3385331186409921,
2.395832457094704,
0.4298419322385278
],
[
0,
0,
8.97590115
]
] | [
26,
46,
46,
46
] | [
1,
1,
1
] | -0.062436 | 0 | 0.045818 | 166 | 166 | [
"Fe",
"Pd"
] |
mp-1105708 | mp-1105708 | Pr5Ge3C | # generated using pymatgen
data_Pr5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91750177
_cell_length_b 8.91750177
_cell_length_c 6.85757900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999826
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr5Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91750177
_cell_length_b 8.91750177
_cell_length_c 6.85757900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.855735351026155e-16,
2.5742610688397645,
4.458750806822965
],
[
6.857579000000002,
5.148522137679529,
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],
[
3.428789500000002,
5.148522137679529,
-1.563540705965446e-7
],
[
3.428789500000001,
2.5742610688397645,
4.458750806822965
... | [
[
6.857579,
0,
4.199056086125054e-16
],
[
2.9567206053078462e-15,
7.722783206519292,
-4.458751119531105
],
[
0,
0,
8.91750177
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
32,
32,
32,
32,
32,
32,
6,
6
] | [
1,
1,
1
] | -0.56698 | 0 | 0.079827 | 193 | 193 | [
"C",
"Ge",
"Pr"
] |
mp-1186575 | mp-1186575 | PmEuPd2 | # generated using pymatgen
data_PmEuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12851679
_cell_length_b 5.12851679
_cell_length_c 5.12851679
_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_PmEuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25281800
_cell_length_b 7.25281800
_cell_length_c 7.25281800
_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
],
[
2.9609505492500157,
2.0937082121327184,
5.128516789999999
],
[
4.441425823875023,
3.140562318199078,
7.692775185
],
[
1.4804752746250078,
1.0468541060663596,
2.564258394999999
]
] | [
[
4.441425823875023,
0,
2.5642583950000004
],
[
1.4804752746250078,
4.187416424265437,
2.5642583950000004
],
[
0,
0,
5.12851679
]
] | [
61,
63,
46,
46
] | [
1,
1,
1
] | -0.722602 | 0 | 0 | 225 | 225 | [
"Eu",
"Pd",
"Pm"
] |
mp-1206667 | mp-1206667 | PrNiBi | # generated using pymatgen
data_PrNiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70356824
_cell_length_b 4.70356824
_cell_length_c 4.70356824
_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_PrNiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65185000
_cell_length_b 6.65185000
_cell_length_c 6.65185000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.715606389515776,
1.9202236930601206,
4.703568239999999
],
[
4.073409584273663,
2.8803355395901815,
7.05535236
],
[
0,
0,
0
]
] | [
[
4.073409584273662,
0,
2.3517841199999996
],
[
1.3578031947578884,
3.840447386120242,
2.3517841199999996
],
[
0,
0,
4.70356824
]
] | [
59,
28,
83
] | [
1,
1,
1
] | -0.642606 | 0.3339 | 0 | 216 | 216 | [
"Bi",
"Ni",
"Pr"
] |
mp-641365 | mp-641365 | PbWO4 | # generated using pymatgen
data_PbWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95760485
_cell_length_b 6.95760485
_cell_length_c 5.13355073
_cell_angle_alpha 71.14117746
_cell_angle_beta 71.14117746
_cell_angle_gamma 115.27251308
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PbWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44870600
_cell_length_b 11.75371600
_cell_length_c 5.13355073
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.14627962
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.108355477707098,
0.7264959288496912,
0.11646954912763711
],
[
-0.7172197202465713,
4.573067329613547,
2.8538995849637168
],
[
0.8083400790531275,
3.1612212810528724,
-0.6206699031604324
],
[
2.5827956784074,
2.1383419774103656,
3.5910390372517864
],
... | [
[
4.857970988346486,
0,
-1.6593555899406822
],
[
-1.4668352308859594,
5.299563258463238,
-2.3278801259679645
],
[
0,
0,
6.95760485
]
] | [
82,
82,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.993011 | 2.9031 | 0.06113 | 15 | 15 | [
"Pb",
"W",
"O"
] |
mp-867159 | mp-867159 | SmDyMg2 | # generated using pymatgen
data_SmDyMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39598983
_cell_length_b 5.39598983
_cell_length_c 5.39598983
_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_SmDyMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63108200
_cell_length_b 7.63108200
_cell_length_c 7.63108200
_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
],
[
3.1153761808949834,
2.202903623457891,
5.39598983
],
[
1.5576880904474917,
1.1014518117289456,
2.6979949149999993
],
[
4.673064271342475,
3.304355435186837,
8.093984745000002
]
] | [
[
4.673064271342475,
0,
2.6979949150000007
],
[
1.5576880904474917,
4.405807246915782,
2.6979949150000007
],
[
0,
0,
5.39598983
]
] | [
62,
66,
12,
12
] | [
1,
1,
1
] | -0.090112 | 0 | 0 | 225 | 225 | [
"Sm",
"Dy",
"Mg"
] |
mp-1216021 | mp-1216021 | YAlFe | # generated using pymatgen
data_YAlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31676853
_cell_length_b 5.31672014
_cell_length_c 8.73798100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 60.91160635
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YAlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38983435
_cell_length_b 9.16628425
_cell_length_c 8.73798100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
0.05216386304939391,
3.095593295441466,
4.851091125713
],
[
2.700339990139652,
1.5384578493335406,
3.7304188485200003
],
[
2.700339990139652,
1.5384578493335406,
0.6385716514800004
],
[
0.05216386304939391,
3.095593295441466,
8.255880374286999
],
[
... | [
[
5.31672014,
0,
3.255552150706634e-16
],
[
-2.584791528922665,
4.646168351836597,
3.255581781035939e-16
],
[
0,
0,
8.737981
]
] | [
39,
39,
39,
39,
13,
13,
13,
13,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.294869 | 0 | 0.009304 | 38 | 38 | [
"Al",
"Fe",
"Y"
] |
mp-1185917 | mp-1185917 | MgPaAu2 | # generated using pymatgen
data_MgPaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94462519
_cell_length_b 4.94462519
_cell_length_c 4.94462519
_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_MgPaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99275600
_cell_length_b 6.99275600
_cell_length_c 6.99275600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8547806844883037,
2.0186347808020546,
4.94462519
],
[
0,
0,
0
],
[
1.427390342244152,
1.0093173904010266,
2.4723125949999996
],
[
4.282171026732456,
3.027952171203081,
7.416937784999999
]
] | [
[
4.282171026732457,
0,
2.4723125949999996
],
[
1.4273903422441516,
4.037269561604108,
2.4723125949999996
],
[
0,
0,
4.94462519
]
] | [
12,
91,
79,
79
] | [
1,
1,
1
] | -0.441589 | 0 | 0 | 225 | 225 | [
"Au",
"Mg",
"Pa"
] |
mp-637222 | mp-637222 | Gd2AlCo2 | # generated using pymatgen
data_Gd2AlCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46905159
_cell_length_b 5.46905159
_cell_length_c 5.46905159
_cell_angle_alpha 137.25863932
_cell_angle_beta 119.21384058
_cell_angle_gamma 77.14435981
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Gd2AlCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98584800
_cell_length_b 5.53391000
_cell_length_c 8.55166399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0727124798178491,
1.3908039809936494,
2.727683440375142
],
[
3.734643187152311,
3.255182673670527,
6.863095130445755
],
[
0,
0,
0
],
[
2.1555060740930996,
1.2705658463709402,
5.429604109609363
],
[
2.6518495928770602,
3.375420808293236,
... | [
[
3.7117906964064207,
0,
1.4524441756981752
],
[
1.095564970563739,
4.645986654664176,
2.6692828051814934
],
[
0,
0,
5.469051589941229
]
] | [
64,
64,
13,
27,
27
] | [
1,
1,
1
] | -0.360504 | 0 | 0 | 71 | 71 | [
"Al",
"Co",
"Gd"
] |
mp-1120780 | mp-1120780 | AuCl | # generated using pymatgen
data_AuCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39589400
_cell_length_b 4.39589400
_cell_length_c 12.19636600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AuCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39589400
_cell_length_b 4.39589400
_cell_length_c 12.19636600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
1.0989734999999998,
3.2969205,
9.1472745
],
[
3.2969205,
3.2969205,
3.0490915000000003
],
[
1.0989735,
1.0989735,
3.0490915
],
[
3.2969205,
1.0989735,
9.1472745
],
[
2.197947,
0,
10.910527525352
],
[
2.197947,
0,
4.8123445... | [
[
4.395894,
0,
2.6917087582455275e-16
],
[
-2.6917087582455275e-16,
4.395894,
2.6917087582455275e-16
],
[
0,
0,
12.196366
]
] | [
79,
79,
79,
79,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.516301 | 2.2435 | 0.005913 | 138 | 138 | [
"Au",
"Cl"
] |
mp-19092 | mp-19092 | CoWO4 | # generated using pymatgen
data_CoWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70136494
_cell_length_b 5.06170178
_cell_length_c 5.76685002
_cell_angle_alpha 89.99481530
_cell_angle_beta 90.00444228
_cell_angle_gamma 90.76203765
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CoWO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70136494
_cell_length_b 5.76685002
_cell_length_c 5.06170178
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.76203765
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
2.399683673781125,
3.7975297935448737,
3.7938250660408888
],
[
2.366072750912748,
1.26666487476056,
1.9708067981493775
],
[
0.050780493506584874,
3.795925376001613,
0.9947552586051625
],
[
0.0171627933473194,
1.2652578461264072,
4.771486747399828
],
... | [
[
4.7013649258694015,
0,
-0.00036450816451509554
],
[
0.06731894778403238,
5.061254079685136,
-0.0004580338273770981
],
[
0,
0,
5.76685002
]
] | [
27,
27,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.922488 | 2.2831 | 0 | 13 | 13 | [
"Co",
"O",
"W"
] |
mp-1272284 | mp-1272284 | La2GaNiO6 | # generated using pymatgen
data_La2GaNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54438775
_cell_length_b 9.37657818
_cell_length_c 5.67967050
_cell_angle_alpha 74.37254135
_cell_angle_beta 59.31368408
_cell_angle_gamma 73.71493093
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2GaNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43860697
_cell_length_b 5.45989282
_cell_length_c 5.59490705
_cell_angle_alpha 60.18869225
_cell_angle_beta 61.94438655
_cell_angle_gamma 61.28721068
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.742378979818272,
2.9816815758451614,
9.384812978285845
],
[
4.369354479023712,
0.5679069387073562,
4.683261479083802
],
[
3.703133974039378,
4.258425961010826,
6.271909006358629
],
[
2.3278692345147243,
1.8452498573854068,
1.571847529146186
],
[
... | [
[
5.321938039199062,
0,
1.5547382510493855
],
[
2.749203378380933,
4.826883164398923,
0.024740776921566295
],
[
0,
0,
9.376578180000001
]
] | [
57,
57,
57,
57,
31,
31,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.759648 | 0.6708 | 0.043633 | 2 | 2 | [
"Ga",
"La",
"Ni",
"O"
] |
mp-1182216 | mp-1182216 | Ca2Ta3CuBrO10 | # generated using pymatgen
data_Ca2Ta3CuBrO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94326100
_cell_length_b 3.94326100
_cell_length_c 15.78642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ca2Ta3CuBrO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94326100
_cell_length_b 3.94326100
_cell_length_c 15.78642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
1.9716304999999998,
1.9716305,
13.503627302085
],
[
1.9716304999999998,
1.9716305,
2.282795697915
],
[
0,
0,
0
],
[
0,
0,
11.551983399441
],
[
0,
0,
4.234439600559
],
[
0,
0,
7.8932115
],
[
1.9716304999999998,
... | [
[
3.943261,
0,
2.4145509809262956e-16
],
[
-2.4145509809262956e-16,
3.943261,
2.4145509809262956e-16
],
[
0,
0,
15.786423
]
] | [
20,
20,
73,
73,
73,
29,
35,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.013112 | 0 | 0.075454 | 123 | 123 | [
"Br",
"Ca",
"Cu",
"O",
"Ta"
] |
mp-1215832 | mp-1215832 | YUTe6 | # generated using pymatgen
data_YUTe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.94428801
_cell_length_b 12.94428801
_cell_length_c 4.37496000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 160.56102152
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YUTe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37063000
_cell_length_b 25.51697399
_cell_length_c 4.37496000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5854648282482633,
4.37496,
7.988669664776408
],
[
0.7197069959797636,
2.18748,
4.201852983297954
],
[
1.8410562197075373,
3.980803822975427e-32,
10.74860688086863
],
[
2.473502506447498,
2.18748,
1.4967191553709935
],
[
3.032400111865819,
4... | [
[
4.307894413497354,
0,
-0.7378701157941792
],
[
1.6749834915057446e-15,
4.37496,
2.678890380198852e-16
],
[
0,
0,
12.944288009999998
]
] | [
39,
92,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.046273 | 0 | 0 | 38 | 38 | [
"Te",
"U",
"Y"
] |
mp-574498 | mp-574498 | Cs3Bi2 | # generated using pymatgen
data_Cs3Bi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37472695
_cell_length_b 7.37472695
_cell_length_c 10.31727151
_cell_angle_alpha 80.04777136
_cell_angle_beta 80.04777136
_cell_angle_gamma 91.87550900
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs3Bi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25735201
_cell_length_b 10.59873201
_cell_length_c 10.31727151
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.38964501
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.7700710111612079,
6.087366597659854,
6.463401574852816
],
[
1.5921806448582496,
2.4392972588350474,
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],
[
6.024992908619004,
1.16125014860127,
1.3047658198528147
],
[
2.331479524212599,
1.7462570117250216,
4.581446200724291
],
[
... | [
[
7.263753481458716,
0,
-1.274552057647185
],
[
-0.46868956167850406,
7.248616746261125,
-1.274552057647185
],
[
0,
0,
10.31727151
]
] | [
55,
55,
55,
55,
55,
55,
83,
83,
83,
83
] | [
1,
1,
1
] | -0.325174 | 0 | 0.006381 | 15 | 15 | [
"Bi",
"Cs"
] |
mp-8584 | mp-8584 | NaErSe2 | # generated using pymatgen
data_NaErSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39661521
_cell_length_b 7.39661521
_cell_length_c 7.39661484
_cell_angle_alpha 32.28802190
_cell_angle_beta 32.28802190
_cell_angle_gamma 32.28802278
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaErSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11329589
_cell_length_b 4.11329589
_cell_length_c 21.01503329
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.880551735730488,
1.756059630339727,
4.842019586850876
],
[
0,
0,
0
],
[
1.4835993659706308,
0.9044409520101728,
2.2713435936244752
],
[
4.277504105490346,
2.6076783086692807,
7.412695580077276
]
] | [
[
3.9510915865021254,
0,
1.143712166850876
],
[
1.8100118849588511,
3.512119260679454,
1.1437121668508763
],
[
0,
0,
7.39661484
]
] | [
11,
68,
34,
34
] | [
1,
1,
1
] | -1.932646 | 1.9423 | 0 | 166 | 166 | [
"Er",
"Na",
"Se"
] |
mp-1219083 | mp-1219083 | SmDyFe17 | # generated using pymatgen
data_SmDyFe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41064159
_cell_length_b 6.41064159
_cell_length_c 6.41064097
_cell_angle_alpha 83.06085865
_cell_angle_beta 83.06085865
_cell_angle_gamma 83.06085951
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmDyFe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50073776
_cell_length_b 8.50073776
_cell_length_c 12.37252130
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.4107014908971576,
2.163452385791635,
2.721887960370171
],
[
4.641559649559713,
4.165506735509187,
5.240717432324988
],
[
2.4243918892037546,
2.1757386539134607,
5.947416359763405
],
[
5.610949325272453,
2.1757386539134607,
3.1251703543214213
],
[
... | [
[
6.36368389260855,
0,
0.7745017174882539
],
[
0.6859547822612688,
6.326605624008691,
0.7745017174882538
],
[
0,
0,
6.41064097
]
] | [
62,
66,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | 0.008286 | 0 | 0.022882 | 160 | 160 | [
"Dy",
"Fe",
"Sm"
] |
mp-979429 | mp-979429 | YHoCd2 | # generated using pymatgen
data_YHoCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30076659
_cell_length_b 5.30076659
_cell_length_c 5.30076659
_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_YHoCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49641600
_cell_length_b 7.49641600
_cell_length_c 7.49641600
_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
],
[
3.0603990176478746,
2.1640288985154608,
5.300766590000001
],
[
1.5301995088239373,
1.0820144492577304,
2.650383295000001
],
[
4.590598526471812,
3.246043347773191,
7.951149885000001
]
] | [
[
4.590598526471812,
0,
2.6503832950000006
],
[
1.5301995088239375,
4.3280577970309215,
2.6503832950000006
],
[
0,
0,
5.30076659
]
] | [
39,
67,
48,
48
] | [
1,
1,
1
] | -0.330993 | 0 | 0.005985 | 225 | 225 | [
"Y",
"Ho",
"Cd"
] |
mp-608016 | mp-608016 | Mg(FeO2)2 | # generated using pymatgen
data_Mg(FeO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04112815
_cell_length_b 6.04112805
_cell_length_c 6.04113238
_cell_angle_alpha 120.01835614
_cell_angle_beta 120.01760121
_cell_angle_gamma 89.96893296
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Mg(FeO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54267143
_cell_length_b 8.54267143
_cell_length_c 8.54267143
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7437723049313774,
0.6165121981402704,
0.0008088274679343687
],
[
1.7447276600652313,
4.315585386981894,
0.0024668057860284254
],
[
5.230839237227205,
8.149358423955824e-17,
0.0016035343728066165
],
[
4.359667858772634,
2.4660537246586682,
-1.5078484681... | [
[
5.230839237227205,
0,
-3.0189665317552437
],
[
-1.7423392722305961,
4.932097585122165,
-3.0188858849907936
],
[
0,
0,
6.04112805
]
] | [
12,
12,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.101146 | 0 | 0.006688 | 227 | 227 | [
"Fe",
"Mg",
"O"
] |
mp-16756 | mp-16756 | Ta3Ga2 | # generated using pymatgen
data_Ta3Ga2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90953700
_cell_length_b 6.90953700
_cell_length_c 3.51744500
_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_Ta3Ga2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90953700
_cell_length_b 6.90953700
_cell_length_c 3.51744500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7587224999999995,
5.698108606400999,
4.666196893599
],
[
1.7587224999999997,
2.2433401064009995,
5.698108606401
],
[
1.7587225,
1.211428393599,
2.243340106401
],
[
1.7587224999999997,
4.666196893599,
1.2114283935990002
],
[
3.517445,
3.4547... | [
[
3.517445,
0,
2.153813880213431e-16
],
[
-4.230871185320103e-16,
6.909537,
4.230871185320103e-16
],
[
0,
0,
6.909537
]
] | [
73,
73,
73,
73,
73,
73,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.277972 | 0 | 0 | 127 | 127 | [
"Ga",
"Ta"
] |
mp-1114574 | mp-1114574 | Rb2LiPrI6 | # generated using pymatgen
data_Rb2LiPrI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63472839
_cell_length_b 8.63472839
_cell_length_c 8.63472839
_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_Rb2LiPrI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.21135000
_cell_length_b 12.21135000
_cell_length_c 12.21135000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.4926313801729014,
1.7625565519186415,
4.317364195
],
[
7.477894140518703,
5.287669655755925,
12.952092584999999
],
[
4.985262760345801,
3.5251131038372847,
8.63472839
],
[
0,
0,
0
],
[
3.76833020896883,
5.246115622487892,
6.526939381630... | [
[
7.477894140518705,
0,
4.317364195000001
],
[
2.4926313801728996,
7.050226207674566,
4.3173641950000015
],
[
0,
0,
8.634728389999998
]
] | [
37,
37,
3,
59,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.62433 | 2.9487 | 0.046947 | 225 | 225 | [
"I",
"Li",
"Pr",
"Rb"
] |
mp-977564 | mp-977564 | MgScHg2 | # generated using pymatgen
data_MgScHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93275852
_cell_length_b 4.93275852
_cell_length_c 4.93275852
_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_MgScHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97597400
_cell_length_b 6.97597400
_cell_length_c 6.97597400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.84792945936942,
2.0137902330610564,
4.932758519999999
],
[
0,
0,
0
],
[
4.27189418905413,
3.020685349591584,
7.39913778
],
[
1.42396472968471,
1.0068951165305282,
2.4663792599999996
]
] | [
[
4.27189418905413,
0,
2.4663792599999996
],
[
1.4239647296847093,
4.027580466122111,
2.4663792599999996
],
[
0,
0,
4.93275852
]
] | [
12,
21,
80,
80
] | [
1,
1,
1
] | -0.387603 | 0 | 0 | 225 | 225 | [
"Hg",
"Mg",
"Sc"
] |
mp-1186694 | mp-1186694 | Pr2ZnGa | # generated using pymatgen
data_Pr2ZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26659353
_cell_length_b 5.26659353
_cell_length_c 5.26659353
_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_Pr2ZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44808800
_cell_length_b 7.44808800
_cell_length_c 7.44808800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.561003788386762,
3.2251167077858134,
7.899890294999999
],
[
1.5203345961289203,
1.0750389025952702,
2.633296764999999
],
[
0,
0,
0
],
[
3.040669192257841,
2.150077805190542,
5.266593529999998
]
] | [
[
4.5610037883867625,
0,
2.6332967649999994
],
[
1.52033459612892,
4.3001556103810845,
2.6332967649999994
],
[
0,
0,
5.266593529999999
]
] | [
59,
59,
30,
31
] | [
1,
1,
1
] | -0.434349 | 0 | 0.008352 | 225 | 225 | [
"Ga",
"Pr",
"Zn"
] |
mp-2287 | mp-2287 | SiRh | # generated using pymatgen
data_SiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60255100
_cell_length_b 4.62172300
_cell_length_c 5.62734713
_cell_angle_alpha 64.86418911
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | # generated using pymatgen
data_SiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62172300
_cell_length_b 4.60255100
_cell_length_c 5.62734713
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.13581089
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
1.6243507091240001,
3.0879040218413,
3.886647812448521
],
[
3.9256262091240006,
3.2622452534787874,
1.6745062543410403
],
[
2.978200290876,
1.145528828372092,
-0.17921176792214621
],
[
0.6769247908760001,
0.971187596734603,
2.032929790185334
],
[
... | [
[
4.602551,
0,
2.8182496750312246e-16
],
[
-2.5922299947095433e-16,
4.233432850213392,
-1.854284172251688
],
[
0,
0,
5.561720216778062
]
] | [
14,
14,
14,
14,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.762944 | 0 | 0.017441 | 14 | 14 | [
"Si",
"Rh"
] |
mp-1019089 | mp-1019089 | KMgAs | # generated using pymatgen
data_KMgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58608200
_cell_length_b 4.58608200
_cell_length_c 7.82881600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | # generated using pymatgen
data_KMgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58608200
_cell_length_b 4.58608200
_cell_length_c 7.82881600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | [
[
-1.404082660481823e-16,
2.293041,
2.7802943989760003
],
[
2.293041,
0,
5.048521601024
],
[
0,
0,
0
],
[
2.293041,
2.293041,
2.808165320963646e-16
],
[
-1.404082660481823e-16,
2.293041,
6.321228731696
],
[
2.293041,
0,
1.50... | [
[
4.586082,
0,
2.808165320963646e-16
],
[
-2.808165320963646e-16,
4.586082,
2.808165320963646e-16
],
[
0,
0,
7.828816
]
] | [
19,
19,
12,
12,
33,
33
] | [
1,
1,
1
] | -0.68241 | 1.1674 | 0 | 129 | 129 | [
"K",
"Mg",
"As"
] |
mp-1206378 | mp-1206378 | Zn7Tc | # generated using pymatgen
data_Zn7Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48954147
_cell_length_b 5.48954147
_cell_length_c 5.48954147
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | # generated using pymatgen
data_Zn7Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76338400
_cell_length_b 7.76338400
_cell_length_c 7.76338400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
2.377041184074085,
9.93737974331539e-17,
4.117156102499999
],
[
0.7923470613580279,
2.2410959205579815,
1.3723853674999995
],
[
2.377041184074085,
9.93737974331539e-17,
1.3723853674999995
],
[
0.7923470613580279,
2.2410959205579815,
4.117156102499999
]... | [
[
4.75408236814817,
0,
2.744770734999999
],
[
1.5846941227160558,
4.482191841115963,
2.744770734999999
],
[
0,
0,
5.489541469999999
]
] | [
30,
30,
30,
30,
30,
30,
30,
43
] | [
1,
1,
1
] | -0.066013 | 0 | 0 | 225 | 225 | [
"Tc",
"Zn"
] |
mp-1009087 | mp-1009087 | BeSiAs2 | # generated using pymatgen
data_BeSiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56503938
_cell_length_b 6.56503938
_cell_length_c 6.56503938
_cell_angle_alpha 131.58099400
_cell_angle_beta 131.58099400
_cell_angle_gamma 70.89161183
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BeSiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38430800
_cell_length_b 5.38430800
_cell_length_c 10.69660801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.48313763562522355,
3.6070341478073202,
1.0745532940500055
],
[
1.9590149233510141,
2.404689431871547,
-2.207966396035007
],
[
3.4348922110768054,
1.2023447159357732,
1.0745532938799798
],
[
0,
0,
0
],
[
1.4503802770699603,
1.894986650513189... | [
[
4.910769498802597,
0,
-2.2079663962050327
],
[
-0.9927396521005674,
4.809378863743093,
-2.2079663958649807
],
[
0,
0,
6.565039379999999
]
] | [
4,
4,
14,
14,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.210833 | 1.0226 | 0 | 122 | 122 | [
"Be",
"Si",
"As"
] |
mp-1225446 | mp-1225446 | Dy(Fe5Mo)2 | # generated using pymatgen
data_Dy(Fe5Mo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72674500
_cell_length_b 6.50610981
_cell_length_c 6.50610981
_cell_angle_alpha 96.92029635
_cell_angle_beta 111.30018531
_cell_angle_gamma 68.69981469
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Dy(Fe5Mo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72674500
_cell_length_b 8.51570600
_cell_length_c 8.62893400
_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
],
[
3.9002320801536685,
4.737406209245918,
3.0087386597271144
],
[
2.6764759632238944,
1.3237428272789604,
6.147481018385049
],
[
4.877643624613562,
4.694978165990244,
7.007942275094973
],
[
1.699064418764002,
1.3661708705346345,
... | [
[
4.403861052003613,
0,
1.7170108123336445
],
[
2.172846991373951,
6.061149036524879,
0.9330986919339987
],
[
0,
0,
6.506110173844521
]
] | [
66,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
42,
42
] | [
1,
1,
1
] | -0.007931 | 0 | 0.015041 | 71 | 71 | [
"Dy",
"Fe",
"Mo"
] |
mp-33683 | mp-33683 | AgSbSe2 | # generated using pymatgen
data_AgSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14858609
_cell_length_b 7.14858609
_cell_length_c 7.14858609
_cell_angle_alpha 132.66312549
_cell_angle_beta 132.66312549
_cell_angle_gamma 69.18368722
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_AgSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73950400
_cell_length_b 5.73950400
_cell_length_c 11.76967799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.5567478044949298,
3.8690972511577324,
1.2702076134938354
],
[
2.1234049270283277,
2.5793981674384883,
-2.304085431567392
],
[
0,
0,
0
],
[
3.690062049561726,
1.2896990837192441,
1.2702076133713796
],
[
3.199610246194095,
3.886714540641337,
... | [
[
5.256719172095124,
0,
-2.3040854316898485
],
[
-1.0099093180384684,
5.1587963348769765,
-2.3040854314449364
],
[
0,
0,
7.14858609
]
] | [
47,
47,
51,
51,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.400133 | 0.0462 | 0.020781 | 141 | 141 | [
"Ag",
"Sb",
"Se"
] |
mp-760655 | mp-760655 | Li3Bi(PO4)2 | # generated using pymatgen
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20728077
_cell_length_b 5.20728077
_cell_length_c 6.38103847
_cell_angle_alpha 88.19891517
_cell_angle_beta 88.19891517
_cell_angle_gamma 66.91325619
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li3Bi(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.68890400
_cell_length_b 5.74160600
_cell_length_c 6.38103847
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.15894416
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4671699246756424,
1.6314577690568584,
5.185744788816103
],
[
0,
0,
0
],
[
4.775300361818762,
3.157744550015891,
1.5226198914005316
],
[
0,
0,
3.190519235
],
[
2.580731890720017,
1.7065525365146872,
1.7450909684046585
],
[
4.6617... | [
[
5.204708193439135,
0,
0.16366318693991047
],
[
2.0377641308194,
4.789207108279858,
0.16366318693991047
],
[
0,
0,
6.38103847
]
] | [
3,
3,
3,
83,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.541119 | 3.5942 | 0.066147 | 12 | 12 | [
"Bi",
"Li",
"O",
"P"
] |
mp-581736 | mp-581736 | Eu(SiRu)2 | # generated using pymatgen
data_Eu(SiRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78033050
_cell_length_b 5.78033050
_cell_length_c 5.78033050
_cell_angle_alpha 136.98159488
_cell_angle_beta 136.98159488
_cell_angle_gamma 62.46636982
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu(SiRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23872400
_cell_length_b 4.23872400
_cell_length_c 9.88510599
_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
],
[
1.2020651706971148,
1.4058188093493353,
3.0501834498503073
],
[
2.1289917055314986,
2.4898621618403456,
-0.3781148602982096
],
[
0.5265258036987945,
2.9217607283922615,
1.3360342947471098
],
[
2.8045310725298185,
0.97392024279742... | [
[
3.9435337069453307,
0,
-1.554130955166073
],
[
-0.6124768307167178,
3.895680971189682,
-1.554130955281829
],
[
0,
0,
5.7803305
]
] | [
63,
14,
14,
44,
44
] | [
1,
1,
1
] | -0.729042 | 0 | 0 | 139 | 139 | [
"Eu",
"Ru",
"Si"
] |
mp-1103909 | mp-1103909 | MnSeO5 | # generated using pymatgen
data_MnSeO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48502157
_cell_length_b 5.48502157
_cell_length_c 7.58179151
_cell_angle_alpha 70.39948251
_cell_angle_beta 109.60051749
_cell_angle_gamma 78.04541479
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnSeO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90705004
_cell_length_b 8.52258800
_cell_length_c 7.02771246
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.08136626
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.7751020397303744,
2.5345913657749284,
2.809279164203849
],
[
-0.7751020397303744,
2.5345913657749284,
-0.7045770663215721
],
[
2.2739832292596738,
4.200735415163467,
3.157053146823416
],
[
1.4767320694459731,
0.86844731638639,
1.052351048941139
],
... | [
[
5.3009193781663955,
0,
-1.4091541326431427
],
[
-1.5502040794607488,
5.069182731549857,
-1.4091541326431443
],
[
0,
0,
7.027712461050842
]
] | [
25,
25,
34,
34,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.253607 | 0 | 0.053856 | 15 | 15 | [
"Mn",
"O",
"Se"
] |
mp-755293 | mp-755293 | Sr4Sb2O | # generated using pymatgen
data_Sr4Sb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.40097572
_cell_length_b 9.40097572
_cell_length_c 9.40097572
_cell_angle_alpha 149.09313301
_cell_angle_beta 149.09313301
_cell_angle_gamma 44.27423712
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr4Sb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00987600
_cell_length_b 5.00987600
_cell_length_c 17.41596000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.7082760381705353,
4.003386893205776,
4.012961005419248
],
[
2.045343421927639,
4.814633354987799,
7.398615143599894
],
[
-0.184517190992164,
2.4073166774938994,
8.733522194405731
],
[
0.7514451876690703,
0.8112464617820243,
2.718200612969079
],
[
... | [
[
4.8287556078239335,
0,
-1.3349070504231373
],
[
-0.369034381984328,
4.814633354987799,
-1.3349070511885377
],
[
0,
0,
9.40097572
]
] | [
38,
38,
38,
38,
51,
51,
8
] | [
1,
1,
1
] | -1.726439 | 1.0342 | 0 | 139 | 139 | [
"Sr",
"Sb",
"O"
] |
mp-21497 | mp-21497 | Pb2SO5 | # generated using pymatgen
data_Pb2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56453725
_cell_length_b 7.56453725
_cell_length_c 7.18367635
_cell_angle_alpha 67.13570222
_cell_angle_beta 67.13570222
_cell_angle_gamma 45.17374293
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pb2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.96864799
_cell_length_b 5.81083200
_cell_length_c 7.18367635
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.88688108
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5057671138664603,
1.7525230772495697,
-1.5409284476650744
],
[
1.6982429317678076,
4.764079919974896,
4.08240295584181
],
[
0.6639271332567194,
0.6581182532926959,
1.5960131737155934
],
[
3.540082912377548,
5.858484743931768,
0.9454613344611424
],
... | [
[
5.365131006815566,
0,
-2.231846270171547
],
[
-1.1611209611812978,
6.516602997224465,
-2.7912164716517176
],
[
0,
0,
7.56453725
]
] | [
82,
82,
82,
82,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.897863 | 3.3214 | 0 | 12 | 12 | [
"O",
"Pb",
"S"
] |
mp-1219847 | mp-1219847 | Pr2Ga5Au3 | # generated using pymatgen
data_Pr2Ga5Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39759000
_cell_length_b 4.39759000
_cell_length_c 10.81086500
_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_Pr2Ga5Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39759000
_cell_length_b 4.39759000
_cell_length_c 10.81086500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-1.3463736293656022e-16,
2.198795,
2.725408255635
],
[
2.198795,
0,
8.085456744365
],
[
2.198795,
2.198795,
2.6927472587312044e-16
],
[
0,
0,
0
],
[
-1.3463736293656022e-16,
2.198795,
6.874142564574999
],
[
2.198795,
0,
3.... | [
[
4.39759,
0,
2.6927472587312044e-16
],
[
-2.6927472587312044e-16,
4.39759,
2.6927472587312044e-16
],
[
0,
0,
10.810865
]
] | [
59,
59,
31,
31,
31,
31,
31,
79,
79,
79
] | [
1,
1,
1
] | -0.645473 | 0 | 0 | 115 | 115 | [
"Au",
"Ga",
"Pr"
] |
mp-754624 | mp-754624 | Al2O3 | # generated using pymatgen
data_Al2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31609103
_cell_length_b 5.31609103
_cell_length_c 5.31609045
_cell_angle_alpha 54.26495925
_cell_angle_beta 54.26495925
_cell_angle_gamma 54.26494660
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_Al2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84880039
_cell_length_b 4.84880039
_cell_length_c 13.55783156
_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
],
[
2.9531200093187406,
2.0055974001146337,
4.869337813160659
],
[
4.0945953927607315,
2.780824974375743,
7.957904999118474
],
[
1.8116446258767491,
1.230369825853524,
1.7807706272028436
],
[
1.6102636070577983,
2.89046697304521,
... | [
[
4.315211938753913,
0,
2.211292588160658
],
[
1.5910280798835676,
4.011194800229267,
2.211292588160658
],
[
0,
0,
5.31609045
]
] | [
13,
13,
13,
13,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.361055 | 5.7966 | 0.065496 | 148 | 148 | [
"Al",
"O"
] |
mp-972692 | mp-972692 | SnPb | # generated using pymatgen
data_SnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47845937
_cell_length_b 3.47845937
_cell_length_c 5.71785300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998804
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47845937
_cell_length_b 3.47845937
_cell_length_c 5.71785300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
1.7392299994098221,
1.004144666309132,
5.717853000000001
],
[
-5.728180892143015e-16,
2.0082893326182645,
2.8589265000000004
]
] | [
[
3.4784599988196447,
0,
9.85367521361262e-16
],
[
-1.739229999409824,
3.012433998927396,
2.1299420667173097e-16
],
[
0,
0,
5.717853
]
] | [
50,
82
] | [
1,
1,
1
] | 0.054623 | 0 | 0.054623 | 187 | 187 | [
"Sn",
"Pb"
] |
mp-1206722 | mp-1206722 | Ce3(SiNi)4 | # generated using pymatgen
data_Ce3(SiNi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.11718257
_cell_length_b 12.11718257
_cell_length_c 12.11718257
_cell_angle_alpha 161.08856251
_cell_angle_beta 160.75643844
_cell_angle_gamma 27.10830787
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Ce3(SiNi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98135000
_cell_length_b 4.05061800
_cell_length_c 23.55941000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.5132964354159331,
2.5922138382631315,
3.0819689902279044
],
[
3.301199502304037,
1.3998302034452543,
7.70410158922272
],
[
0,
0,
0
],
[
1.0973911258793034,
3.2034955821497273,
6.589029628737533
],
[
2.7171048118406658,
0.7885484595586572,
... | [
[
3.927254858525681,
0,
-0.6540772877957807
],
[
-0.11275892080571163,
3.9920440417083847,
-0.6770347027535957
],
[
0,
0,
12.11718257
]
] | [
58,
58,
58,
14,
14,
14,
14,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.75667 | 0 | 0 | 71 | 71 | [
"Ce",
"Ni",
"Si"
] |
mp-1068 | mp-1068 | CuS2 | # generated using pymatgen
data_CuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79948200
_cell_length_b 5.79948200
_cell_length_c 5.79948200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | # generated using pymatgen
data_CuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79948200
_cell_length_b 5.79948200
_cell_length_c 5.79948200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | [
[
2.899741,
0,
2.899741
],
[
0,
0,
0
],
[
-1.7755792670031725e-16,
2.899741,
2.899741
],
[
2.899741,
2.899741,
3.551158534006345e-16
],
[
5.2127774034700005,
0.5867045965300001,
3.4864455965300003
],
[
0.5867045965299997,
5.2127... | [
[
5.799482,
0,
3.551158534006345e-16
],
[
-3.551158534006345e-16,
5.799482,
3.551158534006345e-16
],
[
0,
0,
5.799482
]
] | [
29,
29,
29,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.428925 | 0 | 0.003749 | 205 | 205 | [
"Cu",
"S"
] |
mp-1185366 | mp-1185366 | LiMg2In | # generated using pymatgen
data_LiMg2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89847091
_cell_length_b 4.89847091
_cell_length_c 4.89847091
_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_LiMg2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92748400
_cell_length_b 6.92748400
_cell_length_c 6.92748400
_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
],
[
4.242200247759077,
2.9996885623416953,
7.347706365000001
],
[
1.4140667492530257,
0.9998961874472317,
2.449235455
],
[
2.8281334985060513,
1.999792374894464,
4.898470910000001
]
] | [
[
4.242200247759077,
0,
2.4492354550000006
],
[
1.4140667492530257,
3.999584749788927,
2.4492354550000006
],
[
0,
0,
4.89847091
]
] | [
3,
12,
12,
49
] | [
1,
1,
1
] | -0.145005 | 0 | 0.013593 | 225 | 225 | [
"In",
"Li",
"Mg"
] |
mp-1515 | mp-1515 | ZrSi2 | # generated using pymatgen
data_ZrSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60747576
_cell_length_b 7.60747576
_cell_length_c 3.68008800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.69046729
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72069400
_cell_length_b 14.75300600
_cell_length_c 3.68008800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9200220000000001,
0.37855538971339064,
1.501018340877876
],
[
2.7600660000000006,
3.229173548076831,
5.196591632121345
],
[
0.9200220000000002,
1.6106886229211332,
6.386577050926168
],
[
2.7600660000000006,
1.9970403148690876,
0.31103292207305383
],
... | [
[
3.680088,
0,
2.2534039948902926e-16
],
[
5.801670618754287e-16,
3.607728937790221,
-0.9098657870007787
],
[
0,
0,
7.60747576
]
] | [
40,
40,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.600464 | 0 | 0 | 63 | 63 | [
"Zr",
"Si"
] |
mp-23005 | mp-23005 | Bi4Te7Pb | # generated using pymatgen
data_Bi4Te7Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47490576
_cell_length_b 4.47490576
_cell_length_c 24.66414300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999647
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Bi4Te7Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47490576
_cell_length_b 4.47490576
_cell_length_c 24.66414300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.237452999381382,
1.2917939995921455,
4.040430577974001
],
[
5.005290256797723e-16,
2.5835879991842914,
14.361313865324997
],
[
5.005290256797723e-16,
2.5835879991842914,
20.623712422026
],
[
2.237452999381382,
1.2917939995921455,
10.302829134675001
]... | [
[
4.474905998762762,
0,
1.2676376999654355e-15
],
[
-2.2374529993813796,
3.8753819987764366,
2.740089507735027e-16
],
[
0,
0,
24.664143
]
] | [
83,
83,
83,
83,
52,
52,
52,
52,
52,
52,
52,
82
] | [
1,
1,
1
] | -0.509325 | 0.5998 | 0 | 164 | 164 | [
"Bi",
"Pb",
"Te"
] |
mp-1186926 | mp-1186926 | Ru3Rh | # generated using pymatgen
data_Ru3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47335794
_cell_length_b 5.47335794
_cell_length_c 4.32224500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999925
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ru3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47335794
_cell_length_b 5.47335794
_cell_length_c 4.32224500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2416837500000013,
3.9513198977718202,
-1.3705288798986561
],
[
3.2416837500000004,
1.5774943161929722,
-2.0649351627305253e-8
],
[
3.2416837500000013,
3.95131989777182,
1.3705287764533447
],
[
1.0805612500000001,
0.7887471580964867,
4.1072077878513245
... | [
[
4.322245,
0,
2.646611752190326e-16
],
[
1.8147672360912216e-15,
4.740067055868306,
-2.7366790320473324
],
[
0,
0,
5.47335794
]
] | [
44,
44,
44,
44,
44,
44,
45,
45
] | [
1,
1,
1
] | 0.01352 | 0 | 0.01352 | 194 | 194 | [
"Rh",
"Ru"
] |
mp-559067 | mp-559067 | KNa2AuO2 | # generated using pymatgen
data_KNa2AuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98619500
_cell_length_b 5.49300500
_cell_length_c 10.29696300
_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_KNa2AuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98619500
_cell_length_b 5.49300500
_cell_length_c 10.29696300
_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,
5.1484815
],
[
1.9930974999999997,
2.7465025,
2.9021679846193974e-16
],
[
1.9930974999999997,
4.9508344204900006,
2.406956289102
],
[
1.9930975,
0.54217057951,
7.890006710898
],
[
-1.349764015343208e-16,
2.20433192049,
2.74152521089... | [
[
3.986195,
0,
2.440840473763592e-16
],
[
-3.3634954954752034e-16,
5.493005,
3.3634954954752034e-16
],
[
0,
0,
10.296963
]
] | [
19,
19,
11,
11,
11,
11,
79,
79,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.322921 | 2.0644 | 0 | 58 | 58 | [
"Au",
"K",
"Na",
"O"
] |
mp-1221902 | mp-1221902 | Nd(ZnAs)3 | # generated using pymatgen
data_Nd(ZnAs)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20050484
_cell_length_b 4.20677248
_cell_length_c 20.63238200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 60.18725747
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Nd(ZnAs)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20050484
_cell_length_b 7.30007470
_cell_length_c 20.63238200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.0093635385377643,
0.002000214674314707,
10.315097483754
],
[
0.0093635385377643,
0.002000214674314707,
0.0010935162459970857
],
[
2.1038724709384535,
1.2223246174255171,
17.98617584659
],
[
0.003774114679347623,
2.4348124126844684,
2.648145597317999
... | [
[
4.20050484,
0,
2.5720674035544824e-16
],
[
-2.0914681969273436,
3.650026777946545,
2.5759052261865865e-16
],
[
0,
0,
20.632382
]
] | [
60,
60,
30,
30,
30,
30,
30,
30,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.542904 | 0.127 | 0 | 40 | 40 | [
"As",
"Nd",
"Zn"
] |
mp-11293 | mp-11293 | ZrCdCu2 | # generated using pymatgen
data_ZrCdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53385696
_cell_length_b 4.53385696
_cell_length_c 4.53385696
_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_ZrCdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41184200
_cell_length_b 6.41184200
_cell_length_c 6.41184200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.617623536323257,
1.850939353127686,
4.533856959999998
],
[
0,
0,
0
],
[
1.3088117681616285,
0.925469676563842,
2.266928479999999
],
[
3.9264353044848868,
2.77640902969153,
6.8007854399999985
]
] | [
[
3.9264353044848876,
0,
2.2669284799999994
],
[
1.308811768161628,
3.701878706255373,
2.26692848
],
[
0,
0,
4.533856959999999
]
] | [
40,
48,
29,
29
] | [
1,
1,
1
] | -0.14777 | 0 | 0 | 225 | 225 | [
"Zr",
"Cd",
"Cu"
] |
mp-4969 | mp-4969 | TbCoSi2 | # generated using pymatgen
data_TbCoSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34714432
_cell_length_b 8.34714432
_cell_length_c 3.99297600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.95081684
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbCoSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04566600
_cell_length_b 16.19666200
_cell_length_c 3.99297600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9947320000000004,
3.5041786701728137,
5.681694816594496
],
[
0.9982440000000001,
0.4208933196081973,
1.6850295690429113
],
[
0.9982440000000002,
1.2566588983922677,
5.030983632534284
],
[
2.9947320000000004,
2.6684130913887425,
2.3357407531031242
],
... | [
[
3.992976,
0,
2.444992638736101e-16
],
[
6.311997168378187e-16,
3.925071989781011,
-0.9804199343625937
],
[
0,
0,
8.34714432
]
] | [
65,
65,
27,
27,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.746473 | 0 | 0 | 63 | 63 | [
"Tb",
"Co",
"Si"
] |
mp-1018068 | mp-1018068 | CrFe2Si | # generated using pymatgen
data_CrFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95316248
_cell_length_b 3.95316248
_cell_length_c 3.95316248
_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_CrFe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59061599
_cell_length_b 5.59061599
_cell_length_c 5.59061599
_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
],
[
3.423539132967493,
2.420807736578828,
5.929743720000001
],
[
1.1411797109891633,
0.806935912192944,
1.9765812400000002
],
[
2.2823594219783288,
1.6138718243858858,
3.953162480000001
]
] | [
[
3.423539132967493,
0,
1.9765812400000007
],
[
1.1411797109891644,
3.2277436487717703,
1.9765812400000005
],
[
0,
0,
3.95316248
]
] | [
24,
26,
26,
14
] | [
1,
1,
1
] | -0.238069 | 0 | 0.072285 | 225 | 225 | [
"Cr",
"Fe",
"Si"
] |
mp-1025383 | mp-1025383 | TlPPt5 | # generated using pymatgen
data_TlPPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01852800
_cell_length_b 4.01852800
_cell_length_c 7.18711000
_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_TlPPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01852800
_cell_length_b 4.01852800
_cell_length_c 7.18711000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.009264,
2.009264,
2.460638726242007e-16
],
[
0,
0,
3.593555
],
[
0,
0,
0
],
[
2.009264,
0,
5.01412322705
],
[
-1.2303193631210036e-16,
2.009264,
5.01412322705
],
[
2.009264,
0,
2.17298677295
],
[
-1.2303193631210... | [
[
4.018528,
0,
2.460638726242007e-16
],
[
-2.460638726242007e-16,
4.018528,
2.460638726242007e-16
],
[
0,
0,
7.18711
]
] | [
81,
15,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.230027 | 0 | 0 | 123 | 123 | [
"P",
"Pt",
"Tl"
] |
mp-1206147 | mp-1206147 | Lu2GaNi2 | # generated using pymatgen
data_Lu2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12155700
_cell_length_b 5.24761725
_cell_length_c 5.24761725
_cell_angle_alpha 60.62833241
_cell_angle_beta 66.87693453
_cell_angle_gamma 66.87693453
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Lu2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12155700
_cell_length_b 5.29737600
_cell_length_c 8.06849000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.108095522333804,
1.3159647258986131,
2.652619436716978
],
[
3.8240961189185247,
3.1122836997718273,
6.787377612666062
],
[
0,
0,
0
],
[
2.2042226317968736,
1.1984522974265965,
5.333267393646961
],
[
2.7279690094554545,
3.2297961282438434,
... | [
[
3.790445454746759,
0,
1.6185658339525884
],
[
1.1417461865055696,
4.42824842567044,
2.573813965430451
],
[
0,
0,
5.24761725
]
] | [
71,
71,
31,
28,
28
] | [
1,
1,
1
] | -0.623868 | 0 | 0 | 71 | 71 | [
"Ga",
"Lu",
"Ni"
] |
mp-1104360 | mp-1104360 | Er3Ga8Ir3 | # generated using pymatgen
data_Er3Ga8Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15252234
_cell_length_b 8.15252234
_cell_length_c 8.15252234
_cell_angle_alpha 150.22785051
_cell_angle_beta 105.01208528
_cell_angle_gamma 82.70201636
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Er3Ga8Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18873200
_cell_length_b 9.92451800
_cell_length_c 12.23981000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.82696075615387,
3.854409634473394,
5.670143932206748
],
[
2.024115401506762,
6.3884064516459675,
8.69041248158546
],
[
3.629806110800977,
1.320412817300819,
2.649875382828036
],
[
2.979780945988008,
7.032555389759161,
5.095241168126997
],
[
2.6... | [
[
4.048152057174069,
0,
1.076076521967586
],
[
1.6057694551336705,
7.708819268946788,
2.1116890016935552
],
[
0,
0,
8.152522340752354
]
] | [
68,
68,
68,
31,
31,
31,
31,
31,
31,
31,
31,
77,
77,
77
] | [
1,
1,
1
] | -0.650698 | 0 | 0.059661 | 71 | 71 | [
"Er",
"Ga",
"Ir"
] |
mp-1078460 | mp-1078460 | Li2CuSn2 | # generated using pymatgen
data_Li2CuSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.24443788
_cell_length_b 10.24443788
_cell_length_c 10.24443788
_cell_angle_alpha 155.08220179
_cell_angle_beta 155.08220179
_cell_angle_gamma 35.52852000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Li2CuSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42025400
_cell_length_b 4.42025400
_cell_length_c 19.51196400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.3915625470750186,
3.56136899841768,
5.106015130926107
],
[
2.470543683346517,
0.3281071058426568,
0.937418324676458
],
[
3.8983509167102057,
1.8274008225406926,
7.399775288522516
],
[
0.7139036166818449,
0.7496468583490179,
3.2311784819230294
],
[
... | [
[
4.3161615181782915,
0,
-0.9536221332255945
],
[
-0.21069535442142817,
4.311015856766699,
-0.9536221339252667
],
[
0,
0,
10.24443788
]
] | [
3,
3,
3,
3,
29,
29,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.310138 | 0 | 0 | 141 | 141 | [
"Cu",
"Li",
"Sn"
] |
mp-973986 | mp-973986 | Ho | # generated using pymatgen
data_Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54024826
_cell_length_b 3.54024826
_cell_length_c 11.42698800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000480
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho... | # generated using pymatgen
data_Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54024826
_cell_length_b 3.54024826
_cell_length_c 11.42698800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho... | [
[
0,
0,
0
],
[
1.7701240015739976,
1.021981667670146,
8.570241000000001
],
[
0,
0,
5.713494
],
[
-7.971493096410321e-16,
2.0439633353402926,
2.8567470000000017
]
] | [
[
3.540248003147996,
0,
1.0028706384577779e-15
],
[
-1.7701240015739999,
3.0659450030104383,
2.1677768498979933e-16
],
[
0,
0,
11.426988
]
] | [
67,
67,
67,
67
] | [
1,
1,
1
] | 0.005438 | 0 | 0.005438 | 194 | 194 | [
"Ho"
] |
mp-8758 | mp-8758 | SmRhC2 | # generated using pymatgen
data_SmRhC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05776417
_cell_length_b 4.05776417
_cell_length_c 3.63957200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.95499101
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmRhC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71530600
_cell_length_b 6.60512600
_cell_length_c 3.63957200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.639572,
0.002648032316112347,
4.054054848250565
],
[
1.8197859999999997,
2.3988064224302437,
0.6975541071309755
],
[
1.819786,
0.6567465539478116,
1.9760985739250632
],
[
1.819786,
1.7554573769107624,
2.760452685485224
]
] | [
[
3.639572,
0,
2.228595100033165e-16
],
[
-2.3499306521490863e-16,
3.8377279943657214,
-1.3180644523684877
],
[
0,
0,
4.05776417
]
] | [
62,
45,
6,
6
] | [
1,
1,
1
] | -0.293928 | 0 | 0.070221 | 38 | 38 | [
"Sm",
"Rh",
"C"
] |
mp-1185364 | mp-1185364 | LiMgAg2 | # generated using pymatgen
data_LiMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62777488
_cell_length_b 4.62777488
_cell_length_c 4.62777488
_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_LiMgAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54466200
_cell_length_b 6.54466200
_cell_length_c 6.54466200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.007759921687191,
2.833925553679781,
6.941662319999999
],
[
1.335923536358494,
0.944640591705805,
2.3138874400000002
],
[
0,
0,
0
],
[
2.6718470727169876,
1.8892811834116092,
4.627774879999999
]
] | [
[
4.007770609075482,
0,
2.3138874399999994
],
[
1.3359235363584934,
3.7785623668232184,
2.3138874399999994
],
[
0,
0,
4.62777488
]
] | [
3,
12,
47,
47
] | [
1,
1,
1
] | -0.239999 | 0 | 0 | 225 | 225 | [
"Ag",
"Li",
"Mg"
] |
mp-973089 | mp-973089 | ScTaFe2 | # generated using pymatgen
data_ScTaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35074741
_cell_length_b 4.35074741
_cell_length_c 4.35074741
_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_ScTaFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15288599
_cell_length_b 6.15288599
_cell_length_c 6.15288599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5119051883395676,
1.7761851923725809,
4.35074741
],
[
0,
0,
0
],
[
3.7678577825093518,
2.6642777885588704,
6.5261211150000005
],
[
1.2559525941697842,
0.8880925961862907,
2.175373705000001
]
] | [
[
3.7678577825093513,
0,
2.1753737049999997
],
[
1.2559525941697847,
3.5523703847451595,
2.1753737049999997
],
[
0,
0,
4.35074741
]
] | [
21,
73,
26,
26
] | [
1,
1,
1
] | -0.200644 | 0 | 0.004762 | 225 | 225 | [
"Fe",
"Sc",
"Ta"
] |
mp-13192 | mp-13192 | In6ReO12 | # generated using pymatgen
data_In6ReO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34523261
_cell_length_b 6.34523261
_cell_length_c 6.34523237
_cell_angle_alpha 99.20831468
_cell_angle_beta 99.20831468
_cell_angle_gamma 99.20831233
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_In6ReO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66487200
_cell_length_b 9.66487200
_cell_length_c 9.06247927
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.49028546205207385,
1.9846557520829402,
3.3571787766682992
],
[
1.3020233729459958,
3.7083402236858656,
-0.053263606637421614
],
[
3.6107448656264385,
0.85940425750798,
1.2937675076227768
],
[
4.5799194279533575,
4.164091520259133,
0.9572690312885997
... | [
[
6.263461933359958,
0,
-1.01539228102155
],
[
-1.1932570433545255,
6.148747272342073,
-1.01539228102155
],
[
0,
0,
6.34523237
]
] | [
49,
49,
49,
49,
49,
49,
75,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.961754 | 0 | 0.06443 | 148 | 148 | [
"In",
"O",
"Re"
] |
mp-571443 | mp-571443 | SrMgIn3 | # generated using pymatgen
data_SrMgIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25386212
_cell_length_b 7.25386212
_cell_length_c 7.25386212
_cell_angle_alpha 141.89401542
_cell_angle_beta 141.89401542
_cell_angle_gamma 54.98847925
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrMgIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73593800
_cell_length_b 4.73593800
_cell_length_c 12.86918199
_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
],
[
0.7186715546541218,
3.3333995477416396,
2.0809195457234115
],
[
1.5339140993886597,
1.7292165712555323,
4.441461207528285
],
[
2.4086408897100013,
2.715316159066655,
-0.27962211609299087
],
[
3.2238834344445393,
1.111133182580546... | [
[
4.476489374339748,
0,
-1.5460115142938822
],
[
-0.5339343852410867,
4.444532730322186,
-1.546011514270824
],
[
0,
0,
7.25386212
]
] | [
38,
12,
49,
49,
49
] | [
1,
1,
1
] | -0.293076 | 0 | 0.013047 | 119 | 119 | [
"Sr",
"Mg",
"In"
] |
mp-1111308 | mp-1111308 | K3VF6 | # generated using pymatgen
data_K3VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32062953
_cell_length_b 6.32062953
_cell_length_c 6.32062953
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | # generated using pymatgen
data_K3VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93872000
_cell_length_b 8.93872000
_cell_length_c 8.93872000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | [
[
5.473825740890096,
3.8705793004168645,
9.480944295000002
],
[
1.8246085802966985,
1.2901931001389548,
3.1603147649999994
],
[
3.6492171605933983,
2.580386200277909,
6.3206295300000015
],
[
0,
0,
0
],
[
2.629323000899271,
4.022734353102451,
... | [
[
5.4738257408900965,
0,
3.160314765000001
],
[
1.8246085802966976,
5.160772400555819,
3.160314765000002
],
[
0,
0,
6.32062953
]
] | [
19,
19,
19,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.054947 | 0 | 0.057188 | 225 | 225 | [
"F",
"K",
"V"
] |
mp-1223855 | mp-1223855 | K2SnHgTe4 | # generated using pymatgen
data_K2SnHgTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25001239
_cell_length_b 7.25001239
_cell_length_c 7.25001239
_cell_angle_alpha 105.39790201
_cell_angle_beta 105.39790201
_cell_angle_gamma 117.96670328
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_K2SnHgTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78705800
_cell_length_b 8.78705800
_cell_length_c 7.47167600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.5618171334242166,
5.692107986231465,
0.7374623953153274
],
[
4.961422022317868,
2.8460539931157327,
0.7374623955067694
],
[
0,
0,
0
],
[
1.4665349629645505,
2.8460539931157327,
5.3249831902740326
],
[
1.2119239619044233,
2.3519391751549388... | [
[
6.989774118706635,
0,
-1.9250291995345254
],
[
-4.056704192777534,
5.692107986231465,
-1.92502919991741
],
[
0,
0,
7.25001239
]
] | [
19,
19,
50,
80,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.772974 | 0.6459 | 0 | 121 | 121 | [
"Hg",
"K",
"Sn",
"Te"
] |
mp-1185068 | mp-1185068 | LaLuIn2 | # generated using pymatgen
data_LaLuIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42816036
_cell_length_b 5.42816036
_cell_length_c 5.42816036
_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_LaLuIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67657800
_cell_length_b 7.67657800
_cell_length_c 7.67657800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1339498450504557,
2.216037187333707,
5.428160360000001
],
[
0,
0,
0
],
[
4.700924767575684,
3.3240557810005606,
8.142240540000001
],
[
1.5669749225252276,
1.1080185936668532,
2.7140801800000003
]
] | [
[
4.700924767575684,
0,
2.7140801800000003
],
[
1.566974922525228,
4.4320743746674145,
2.7140801800000003
],
[
0,
0,
5.42816036
]
] | [
57,
71,
49,
49
] | [
1,
1,
1
] | -0.4464 | 0 | 0.002415 | 225 | 225 | [
"In",
"La",
"Lu"
] |
mp-865115 | mp-865115 | NaNdHg2 | # generated using pymatgen
data_NaNdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29438283
_cell_length_b 5.29438283
_cell_length_c 5.29438283
_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_NaNdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48738800
_cell_length_b 7.48738800
_cell_length_c 7.48738800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0567133520934333,
2.1614227394087293,
5.294382829999999
],
[
0,
0,
0
],
[
4.58507002814015,
3.2421341091130933,
7.941574244999999
],
[
1.5283566760467164,
1.0807113697043642,
2.647191415
]
] | [
[
4.58507002814015,
0,
2.6471914149999995
],
[
1.5283566760467162,
4.322845478817457,
2.647191415
],
[
0,
0,
5.294382829999999
]
] | [
11,
60,
80,
80
] | [
1,
1,
1
] | -0.374526 | 0 | 0 | 225 | 225 | [
"Na",
"Nd",
"Hg"
] |
mp-10026 | mp-10026 | ScTe | # generated using pymatgen
data_ScTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14448226
_cell_length_b 4.14448226
_cell_length_c 6.93930700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000418
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_ScTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14448226
_cell_length_b 4.14448226
_cell_length_c 6.93930700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
0,
0,
0
],
[
0,
0,
3.4696535
],
[
2.0722409990743986,
1.196408999427957,
5.204480250000001
],
[
-5.234509861913612e-16,
2.3928179988559144,
1.7348267500000008
]
] | [
[
4.144481998148797,
0,
1.1740361985556917e-15
],
[
-2.0722409990743986,
3.589226998283871,
2.5377634669159943e-16
],
[
0,
0,
6.939307
]
] | [
21,
21,
52,
52
] | [
1,
1,
1
] | -1.388614 | 0 | 0 | 194 | 194 | [
"Sc",
"Te"
] |
mp-1062030 | mp-1062030 | TiS2 | # generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42007578
_cell_length_b 3.42007578
_cell_length_c 11.32730559
_cell_angle_alpha 85.26998124
_cell_angle_beta 85.26998124
_cell_angle_gamma 60.00197739
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92368600
_cell_length_b 3.42017800
_cell_length_c 11.32730559
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.46388554
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
1.5835351043938997,
0.9184639733726834,
1.5964655295952503
],
[
3.5173368866701864,
2.040085630976839,
10.294883484843492
]
] | [
[
3.4084280973462624,
0,
0.28202171221937095
],
[
1.692443893717823,
2.9585496043495225,
0.28202171221937095
],
[
0,
0,
11.32730559
]
] | [
22,
16,
16
] | [
1,
1,
1
] | -1.604605 | 0.0497 | 0.003541 | 12 | 12 | [
"S",
"Ti"
] |
mp-989592 | mp-989592 | Sr6Sn2NF | # generated using pymatgen
data_Sr6Sn2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42975056
_cell_length_b 7.42975056
_cell_length_c 7.42975056
_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_Sr6Sn2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.50725401
_cell_length_b 10.50725401
_cell_length_c 10.50725401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.39825893581179,
1.4652578938520011,
9.35005874923872
],
[
3.180878035843755,
4.601108035533855,
9.35005874923872
],
[
5.39825893581179,
1.4652578938520018,
5.509442370761279
],
[
6.506949385795808,
4.601108035533856,
7.42975056
],
[
2.072187585... | [
[
6.434352728741659,
0,
3.7148752800000007
],
[
2.1447842429138864,
6.0663659293858565,
3.7148752800000002
],
[
0,
0,
7.429750559999999
]
] | [
38,
38,
38,
38,
38,
38,
50,
50,
7,
9
] | [
1,
1,
1
] | -1.209563 | 0 | 0 | 225 | 225 | [
"Sr",
"Sn",
"N",
"F"
] |
mp-1220251 | mp-1220251 | Nd4Mn(NiO4)3 | # generated using pymatgen
data_Nd4Mn(NiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44383700
_cell_length_b 5.53575600
_cell_length_c 7.71551102
_cell_angle_alpha 90.17431835
_cell_angle_beta 90.04387311
_cell_angle_gamma 90.14609221
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Nd4Mn(NiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44383700
_cell_length_b 5.53575600
_cell_length_c 7.71551102
_cell_angle_alpha 90.17431835
_cell_angle_beta 90.04387311
_cell_angle_gamma 90.14609221
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.6700745547028757,
3.0262078711159717,
5.772190556861578
],
[
0.058741527843361487,
0.27616008207211384,
5.770532058193503
],
[
2.787888750397897,
2.5095044802403708,
1.9559940724898013
],
[
5.39922177725741,
5.259552269284229,
1.9576525711578772
],
... | [
[
5.443835404022835,
0,
-0.004168510110391109
],
[
0.014127901077937826,
5.535712351356342,
0.016842119461770423
],
[
0,
0,
7.71551102
]
] | [
60,
60,
60,
60,
25,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.600713 | 0.344 | 0.002123 | 2 | 2 | [
"Mn",
"Nd",
"Ni",
"O"
] |
mp-1216568 | mp-1216568 | U2Si3Ir | # generated using pymatgen
data_U2Si3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73009700
_cell_length_b 4.17003073
_cell_length_c 7.06992892
_cell_angle_alpha 89.98831514
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_U2Si3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73009700
_cell_length_b 4.17003073
_cell_length_c 7.06992892
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.55332307737841e-16,
4.16989303227042,
0.006916404006305923
],
[
-1.276657708578195e-16,
2.084940261089245,
3.5313385919496634
],
[
1.8650484999999999,
2.084911070874742,
5.875840134731352
],
[
1.8650484999999999,
2.0848693705683092,
1.1332257577572216... | [
[
3.730097,
0,
2.2840256757795726e-16
],
[
-2.553407339820624e-16,
4.170030643281648,
0.0008504330572368116
],
[
0,
0,
7.06992892
]
] | [
92,
92,
14,
14,
14,
77
] | [
1,
1,
1
] | -0.491671 | 0 | 0.013883 | 25 | 25 | [
"Ir",
"Si",
"U"
] |
mp-753001 | mp-753001 | CoAgO2 | # generated using pymatgen
data_CoAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49316482
_cell_length_b 6.49316482
_cell_length_c 6.49316472
_cell_angle_alpha 26.98102735
_cell_angle_beta 26.98102735
_cell_angle_gamma 26.98103010
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02950784
_cell_length_b 3.02950784
_cell_length_c 18.75944957
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1670520692067434,
1.299171141769263,
3.9533190479467892
],
[
0,
0,
0
],
[
3.8486584702863462,
2.30731235772851,
3.4369760998382057
],
[
0.48544566812714096,
0.29102992581001613,
4.469661996055376
]
] | [
[
2.9459192130054124,
0,
0.706736687946789
],
[
1.3881849254080747,
2.5983422835385266,
0.706736687946789
],
[
0,
0,
6.49316472
]
] | [
27,
47,
8,
8
] | [
1,
1,
1
] | -0.939499 | 1.2238 | 0.074987 | 166 | 166 | [
"Ag",
"Co",
"O"
] |
mp-1215411 | mp-1215411 | ZnIn2SnAs4 | # generated using pymatgen
data_ZnIn2SnAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42200790
_cell_length_b 7.42200790
_cell_length_c 7.42200790
_cell_angle_alpha 131.61481060
_cell_angle_beta 131.61481060
_cell_angle_gamma 70.83807626
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_ZnIn2SnAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08315400
_cell_length_b 6.08315400
_cell_length_c 12.09691200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
3.8816745525037057,
1.3586721621215823,
1.2180961625932385
],
[
0.5472448997627397,
4.076016486364747,
1.2180961629451503
],
[
2.2144597261332226,
2.717344324243165,
-2.4929077872308065
],
[
-0.05237971725452844,
3.48808643368284... | [
[
5.548889378874189,
0,
-2.4929077875827175
],
[
-1.1199699266077434,
5.434688648486329,
-2.492907786878895
],
[
0,
0,
7.4220079000000005
]
] | [
30,
49,
49,
50,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.206908 | 0.3243 | 0.003532 | 121 | 121 | [
"As",
"In",
"Sn",
"Zn"
] |
mp-21118 | mp-21118 | Sr(MnGe)2 | # generated using pymatgen
data_Sr(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44671428
_cell_length_b 6.44671428
_cell_length_c 6.44671428
_cell_angle_alpha 143.08771838
_cell_angle_beta 143.08771838
_cell_angle_gamma 53.19368322
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08178400
_cell_length_b 4.08178400
_cell_length_c 11.52903200
_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
],
[
2.7960653872031895,
0.961937324402006,
1.9311515379328004
],
[
0.644510916266559,
2.8858119732060183,
1.9311515380460025
],
[
2.180509959815898,
2.4385611380999537,
0.08675948657719378
],
[
1.26006634365385,
1.4091881595080697,
... | [
[
3.8718426226715046,
0,
-1.2922056021238009
],
[
-0.43126631920175623,
3.8477492976080243,
-1.2922056018973964
],
[
0,
0,
6.44671428
]
] | [
38,
25,
25,
32,
32
] | [
1,
1,
1
] | -0.296253 | 0 | 0.00966 | 139 | 139 | [
"Ge",
"Mn",
"Sr"
] |
mp-697540 | mp-697540 | K3GeH2NO3 | # generated using pymatgen
data_K3GeH2NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46849900
_cell_length_b 6.77730759
_cell_length_c 7.29667664
_cell_angle_alpha 96.29127816
_cell_angle_beta 101.42268862
_cell_angle_gamma 91.60701510
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_K3GeH2NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46849900
_cell_length_b 6.77730759
_cell_length_c 7.29667664
_cell_angle_alpha 96.29127816
_cell_angle_beta 101.42268862
_cell_angle_gamma 91.60701510
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.797241539313989,
0.6148920879432174,
-0.832714495151879
],
[
1.199174927113189,
6.112813284697212,
6.105656266764283
],
[
4.078645739827968,
1.3400647223547566,
2.536339545940077
],
[
1.9177707265992112,
5.387640650285673,
2.736602225672327
],
[
... | [
[
6.340376322642077,
0,
-1.2810571416922611
],
[
-0.34395985621489844,
6.727705372640429,
-0.7426777266953348
],
[
0,
0,
7.29667664
]
] | [
19,
19,
19,
19,
19,
19,
32,
32,
1,
1,
1,
1,
7,
7,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.47812 | 3.4549 | 0 | 2 | 2 | [
"Ge",
"H",
"K",
"N",
"O"
] |
mp-18972 | mp-18972 | Sr2VO4 | # generated using pymatgen
data_Sr2VO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84148722
_cell_length_b 3.84148693
_cell_length_c 7.00072755
_cell_angle_alpha 105.92408199
_cell_angle_beta 105.92407956
_cell_angle_gamma 89.99999478
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2VO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84148708
_cell_length_b 3.84148708
_cell_length_c 12.90452265
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1992669541872476,
2.3862172747188537,
0.7075763235214377
],
[
1.1940944390454837,
1.2956011554157816,
4.185217524764605
],
[
0,
0,
0
],
[
2.8535759690130327,
3.096141112675146,
3.0008875111072517
],
[
0.5397860256370011,
0.5856699538299925,... | [
[
3.694074039159587,
0,
-1.053963389576696
],
[
-0.3007086511441651,
3.681814748319886,
-1.0539632477484961
],
[
0,
0,
7.0007274863385796
]
] | [
38,
38,
23,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.961473 | 0 | 0.025702 | 139 | 139 | [
"Sr",
"V",
"O"
] |
mp-1186144 | mp-1186144 | NaEuHg2 | # generated using pymatgen
data_NaEuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38860481
_cell_length_b 5.38860481
_cell_length_c 5.38860481
_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_NaEuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62063800
_cell_length_b 7.62063800
_cell_length_c 7.62063800
_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
],
[
3.1111124376100125,
2.1998887016678506,
5.3886048099999995
],
[
4.666668656415018,
3.299833052501775,
8.082907215
],
[
1.5555562188050058,
1.0999443508339244,
2.6943024049999993
]
] | [
[
4.666668656415019,
0,
2.6943024049999997
],
[
1.5555562188050052,
4.399777403335699,
2.694302405
],
[
0,
0,
5.3886048099999995
]
] | [
11,
63,
80,
80
] | [
1,
1,
1
] | -0.372109 | 0 | 0.031523 | 225 | 225 | [
"Eu",
"Hg",
"Na"
] |
mp-1227705 | mp-1227705 | BaSrCaMg(SiO4)2 | # generated using pymatgen
data_BaSrCaMg(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53167022
_cell_length_b 5.53167022
_cell_length_c 6.99093000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000264
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_BaSrCaMg(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53167022
_cell_length_b 5.53167022
_cell_length_c 6.99093000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
2.7658349996332596,
1.5968556665327065,
3.502183283730001
],
[
-9.338516996865809e-16,
3.193711333065413,
1.1131587929699995
],
[
0,
0,
5.82015196197
],
[
2.7658349996332596,
1.5968556665327065,
6.9909020362800005
],
[
-9.338516996865809e-16,
... | [
[
5.53166999926652,
0,
1.566994577489842e-15
],
[
-2.765834999633261,
4.79056699959812,
3.387171114430868e-16
],
[
0,
0,
6.99093
]
] | [
56,
38,
20,
12,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.367596 | 4.7476 | 0.021567 | 156 | 156 | [
"Ba",
"Ca",
"Mg",
"O",
"Si",
"Sr"
] |
mp-1222468 | mp-1222468 | LiMoP2WO11 | # generated using pymatgen
data_LiMoP2WO11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26311461
_cell_length_b 5.26311461
_cell_length_c 7.88027834
_cell_angle_alpha 80.25559714
_cell_angle_beta 80.25559714
_cell_angle_gamma 75.91777181
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_LiMoP2WO11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29943001
_cell_length_b 6.47464000
_cell_length_c 7.88027834
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.39588216
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.1382945265133952,
2.506717175327182,
0.9242708435172401
],
[
5.358301719705316,
4.279951049174786,
3.2906377804415405
],
[
1.6002449458691104,
1.278197905471029,
3.0406260752741994
],
[
4.7325732774699,
3.7801495742046054,
6.609936218184153
],
[
... | [
[
5.18718153900277,
0,
0.8907991240590185
],
[
1.1463587079243898,
5.058924197034096,
0.8907991240590185
],
[
0,
0,
7.88027834
]
] | [
3,
42,
15,
15,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.421947 | 2.469 | 0.005358 | 8 | 8 | [
"Li",
"Mo",
"O",
"P",
"W"
] |
mp-765618 | mp-765618 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53594000
_cell_length_b 5.58062421
_cell_length_c 7.36255199
_cell_angle_alpha 73.48854989
_cell_angle_beta 72.06133125
_cell_angle_gamma 71.59998549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53594000
_cell_length_b 5.58062421
_cell_length_c 7.36255199
_cell_angle_alpha 73.48854989
_cell_angle_beta 72.06133125
_cell_angle_gamma 71.59998549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.541395035072751,
3.592632633285888,
8.439175862980521
],
[
2.235248138741654,
1.7488009430239968,
6.076019046884483
],
[
4.3958027930868315,
3.1643518910458526,
4.422100803956288
],
[
2.179412007635919,
1.7255043190418329,
2.2998742060161725
],
[
... | [
[
5.266819982041582,
0,
1.705062743821326
],
[
1.3380655760736855,
5.180481205729087,
1.5860521947440491
],
[
0,
0,
7.36255199
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.235412 | 0.213 | 0.054791 | 1 | 1 | [
"F",
"Mn",
"O"
] |
mp-1067280 | mp-1067280 | TmTlSe2 | # generated using pymatgen
data_TmTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16647136
_cell_length_b 8.16647136
_cell_length_c 8.16647168
_cell_angle_alpha 29.36383438
_cell_angle_beta 29.36383438
_cell_angle_gamma 29.36383626
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13962791
_cell_length_b 4.13962791
_cell_length_c 23.42673150
_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
],
[
2.9346200617784866,
1.771884033443624,
5.132435813750453
],
[
4.30639060193647,
2.600140593572646,
8.06329744430138
],
[
1.5628495216205038,
0.943627473314603,
2.201574183199525
]
] | [
[
4.004459755462633,
0,
1.0491999737504507
],
[
1.8647803680943404,
3.543768066887248,
1.0491999737504507
],
[
0,
0,
8.16647168
]
] | [
69,
81,
34,
34
] | [
1,
1,
1
] | -1.603326 | 1.3676 | 0 | 166 | 166 | [
"Se",
"Tl",
"Tm"
] |
mp-1078077 | mp-1078077 | V2CrS4 | # generated using pymatgen
data_V2CrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44313482
_cell_length_b 6.44313482
_cell_length_c 5.84926183
_cell_angle_alpha 65.44663278
_cell_angle_beta 65.44663278
_cell_angle_gamma 29.49275986
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V2CrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.46182199
_cell_length_b 3.28008200
_cell_length_c 5.84926183
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.44813446
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9160967860517268,
3.60694964874368,
0.836578639424402
],
[
0.6161850166033555,
1.6747853511006339,
2.3410353754134414
],
[
0,
0,
0
],
[
1.4002472726273543,
5.175038671112459,
-1.1232579790853026
],
[
1.1320345300277275,
0.10669632873185553,... | [
[
3.172042732932725,
0,
-0.8349148520293139
],
[
-0.6397609302776431,
5.281734999844313,
-2.4306059531328423
],
[
0,
0,
6.44313482
]
] | [
23,
23,
24,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.18585 | 0 | 0 | 12 | 12 | [
"Cr",
"S",
"V"
] |
mp-1227195 | mp-1227195 | Ce3Mg2InAu3 | # generated using pymatgen
data_Ce3Mg2InAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70162662
_cell_length_b 7.70162662
_cell_length_c 4.25713200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.26638819
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Ce3Mg2InAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78686799
_cell_length_b 13.29002999
_cell_length_c 4.25713200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.257132,
3.9206033159432994,
2.2971521131793495
],
[
4.257132,
6.715142077182143,
-0.5802863315397844
],
[
4.257132,
2.7766203568511636,
6.141680937433474
],
[
2.128566,
0.0028419516520389334,
5.827606817129915
],
[
2.1285659999999997,
5.085... | [
[
4.257132,
0,
2.606741538673885e-16
],
[
-4.113932617022474e-16,
6.718561825151144,
-3.7651002105540767
],
[
0,
0,
7.70162662
]
] | [
58,
58,
58,
12,
12,
49,
79,
79,
79
] | [
1,
1,
1
] | -0.587831 | 0 | 0 | 38 | 38 | [
"Au",
"Ce",
"In",
"Mg"
] |
mp-2866 | mp-2866 | Yb(FeSi)2 | # generated using pymatgen
data_Yb(FeSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51461541
_cell_length_b 5.51461541
_cell_length_c 5.51461541
_cell_angle_alpha 137.70233818
_cell_angle_beta 137.70233818
_cell_angle_gamma 61.35918855
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Yb(FeSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97925600
_cell_length_b 3.97925600
_cell_length_c 9.48551400
_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
],
[
2.644581504568175,
0.9173615237693183,
1.3216247843307198
],
[
0.5112670649568639,
2.7520845713079543,
1.3216247842417224
],
[
2.0090510695424744,
2.336013417479332,
-0.3212206702610417
],
[
1.146797499982565,
1.33343267759794,
... | [
[
3.7112387243738305,
0,
-1.4356829206247823
],
[
-0.5553901548487916,
3.6694460950772725,
-1.435682920802777
],
[
0,
0,
5.51461541
]
] | [
70,
26,
26,
14,
14
] | [
1,
1,
1
] | -0.487655 | 0 | 0 | 139 | 139 | [
"Yb",
"Fe",
"Si"
] |
mp-1104730 | mp-1104730 | Sm(Ni2Sn)2 | # generated using pymatgen
data_Sm(Ni2Sn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.71814651
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Sm(Ni2Sn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67142400
_cell_length_b 7.67142400
_cell_length_c 7.92669400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.5230113669980576,
2.756276170943373,
-2.1899919156823584
],
[
3.149066838700745,
4.300011232054273e-17,
2.189991915662005
],
[
3.6309997783122427,
1.5222692790026573,
-0.3979572183475616
],
[
-0.03863866637874126,
3.064201832208825,
1.9505139004348264
... | [
[
6.29813367740149,
0,
-2.33816267867599
],
[
-3.252110943405375,
5.512552341886746,
-2.0418211526887267
],
[
0,
0,
6.71814651
]
] | [
62,
62,
28,
28,
28,
28,
28,
28,
28,
28,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.411569 | 0 | 0 | 140 | 140 | [
"Ni",
"Sm",
"Sn"
] |
mp-1213773 | mp-1213773 | CrAg(SO4)2 | # generated using pymatgen
data_CrAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81605849
_cell_length_b 4.81605849
_cell_length_c 7.37938611
_cell_angle_alpha 88.22677401
_cell_angle_beta 88.22677401
_cell_angle_gamma 65.91174818
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_CrAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08221081
_cell_length_b 5.23980400
_cell_length_c 7.37938611
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.11341516
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
0,
0,
3.689693055
],
[
4.312381308231544,
2.797676766618485,
1.7644705581473727
],
[
2.463340918369839,
1.598103498507676,
5.912968809318545
],
[
4.808594549774468,
3.119597338554734,
3.092213391519113
],
[
1.96712767... | [
[
4.813752220776384,
0,
0.14902662873295905
],
[
1.9619700058249976,
4.395780265126161,
0.14902662873295905
],
[
0,
0,
7.37938611
]
] | [
24,
47,
16,
16,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.873755 | 1.9491 | 0.004395 | 12 | 12 | [
"Ag",
"Cr",
"O",
"S"
] |
mp-8257 | mp-8257 | Na2ZnS2 | # generated using pymatgen
data_Na2ZnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11687092
_cell_length_b 7.11687092
_cell_length_c 7.11687092
_cell_angle_alpha 130.34214044
_cell_angle_beta 125.99368925
_cell_angle_gamma 76.40562560
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2ZnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97689600
_cell_length_b 6.46268200
_cell_length_c 11.18525200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9615976243909286,
2.845957594021393,
1.4454551281643124
],
[
0.1051859674600607,
2.749833101454508,
0.2273417517402952
],
[
2.4074667987970804,
4.439448527209284,
-1.9135369042033188
],
[
1.659316793053908,
1.156342168266618,
3.5863337841079255
],
... | [
[
5.424425043821773,
0,
-2.509760693849467
],
[
-1.357641451970785,
5.595790695475901,
-2.934313346245925
],
[
0,
0,
7.11687092
]
] | [
11,
11,
11,
11,
30,
30,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.180014 | 2.7074 | 0.005862 | 72 | 72 | [
"Na",
"S",
"Zn"
] |
mp-30472 | mp-30472 | Ca2GaCu2 | # generated using pymatgen
data_Ca2GaCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68691100
_cell_length_b 5.68691100
_cell_length_c 5.68691100
_cell_angle_alpha 136.32539659
_cell_angle_beta 122.17771664
_cell_angle_gamma 75.17779406
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ca2GaCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23074600
_cell_length_b 5.49870400
_cell_length_c 9.01270600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.028385537393996914,
3.2672086224429213,
0.07083512703452842
],
[
2.833501079396352,
1.4268340773183277,
1.38399298905872
],
[
0,
0,
0
],
[
1.6864660631936281,
1.2210847977023926,
-1.4783932407229177
],
[
1.1754205535967206,
3.47295790205885... | [
[
3.927163980300881,
0,
-1.5737200496855928
],
[
-1.0652773635105324,
4.694042699761249,
-2.658362834221159
],
[
0,
0,
5.686911
]
] | [
20,
20,
31,
29,
29
] | [
1,
1,
1
] | -0.297505 | 0 | 0 | 71 | 71 | [
"Ca",
"Ga",
"Cu"
] |
mp-1206250 | mp-1206250 | La2CdPd2 | # generated using pymatgen
data_La2CdPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93463700
_cell_length_b 7.93463700
_cell_length_c 3.98038700
_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_La2CdPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93463700
_cell_length_b 7.93463700
_cell_length_c 3.98038700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9901935000000002,
5.387174183328,
1.4198556833280007
],
[
1.9901934999999997,
2.547462816672,
6.514781316672002
],
[
1.9901935,
1.4198556833280003,
2.5474628166720006
],
[
1.9901934999999995,
6.514781316672002,
5.387174183328001
],
[
0,
0,
... | [
[
3.980387,
0,
2.4372840994588676e-16
],
[
-4.858563902223078e-16,
7.934637,
4.858563902223078e-16
],
[
0,
0,
7.934637
]
] | [
57,
57,
57,
57,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.772292 | 0 | 0 | 127 | 127 | [
"Cd",
"La",
"Pd"
] |
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