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-1189834 | mp-1189834 | Lu3Pt | # generated using pymatgen
data_Lu3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35415700
_cell_length_b 6.92755100
_cell_length_c 9.36299200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_Lu3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35415700
_cell_length_b 6.92755100
_cell_length_c 9.36299200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
2.0388774190609995,
4.716706228962,
0.5775374355360005
],
[
1.138201080939,
1.252930728962,
4.103958564464
],
[
4.315279580939,
2.210844771038,
5.259033435536001
],
[
5.215955919061,
5.674620271038,
8.785454564464
],
[
4.315279580939,
2.21084... | [
[
6.354157,
0,
3.890799015664874e-16
],
[
-4.241901579040023e-16,
6.927551,
4.241901579040023e-16
],
[
0,
0,
9.362992
]
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.756439 | 0 | 0.00625 | 62 | 62 | [
"Lu",
"Pt"
] |
mp-672204 | mp-672204 | Ga3Ru | # generated using pymatgen
data_Ga3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52704500
_cell_length_b 6.52704500
_cell_length_c 6.80649800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_Ga3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52704500
_cell_length_b 6.52704500
_cell_length_c 6.80649800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
-1.998331191785184e-16,
3.2635225,
3.403249
],
[
3.2635225,
0,
1.998331191785184e-16
],
[
3.2635225,
0,
3.403249
],
[
-1.998331191785184e-16,
3.2635225,
1.998331191785184e-16
],
[
2.2520132822599996,
4.27503171774,
1.6020045952720003
],... | [
[
6.527045,
0,
3.996662383570368e-16
],
[
-3.996662383570368e-16,
6.527045,
3.996662383570368e-16
],
[
0,
0,
6.806498
]
] | [
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.387139 | 0.7227 | 0 | 136 | 136 | [
"Ga",
"Ru"
] |
mp-861630 | mp-861630 | Tc3Ru | # generated using pymatgen
data_Tc3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52157233
_cell_length_b 5.52157233
_cell_length_c 4.36411900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000393
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tc3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52157233
_cell_length_b 5.52157233
_cell_length_c 4.36411900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2730892500000013,
3.9930219704133068,
-1.3945445984946563
],
[
3.2730892500000004,
1.5775994936672364,
1.08209823076181e-7
],
[
3.2730892500000013,
3.9930219704133068,
1.3945451462689236
],
[
1.0910297499999997,
0.7887997468336184,
4.155331091486703
... | [
[
4.364119,
0,
2.672252182224074e-16
],
[
1.830753295050069e-15,
4.781821717246925,
-2.7607858370079548
],
[
0,
0,
5.521572330000001
]
] | [
43,
43,
43,
43,
43,
43,
44,
44
] | [
1,
1,
1
] | -0.046328 | 0 | 0 | 194 | 194 | [
"Ru",
"Tc"
] |
mp-540569 | mp-540569 | CsCr5S8 | # generated using pymatgen
data_CsCr5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.22363007
_cell_length_b 9.22363007
_cell_length_c 8.84117671
_cell_angle_alpha 75.37599425
_cell_angle_beta 75.37599425
_cell_angle_gamma 22.03493744
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsCr5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.10725800
_cell_length_b 3.52542400
_cell_length_c 8.84117671
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.90490579
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.5129248758991893,
4.271853502295001,
-1.4529559438148485
],
[
0,
0,
0
],
[
1.8580342369595007,
8.36964606178549,
0.3195923336412893
],
[
1.1678155148388778,
0.17406094280451287,
5.998125848729013
],
[
2.292770355300555,
2.8593907728821724,
... | [
[
3.4604467790737368,
0,
-0.67373768720322
],
[
-0.4345970272753581,
8.54370700459,
-2.2321742004264786
],
[
0,
0,
9.22363007
]
] | [
55,
24,
24,
24,
24,
24,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.087928 | 0.3368 | 0 | 12 | 12 | [
"Cr",
"Cs",
"S"
] |
mp-2991 | mp-2991 | Cs2UO4 | # generated using pymatgen
data_Cs2UO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28285058
_cell_length_b 8.28285058
_cell_length_c 8.28285058
_cell_angle_alpha 149.00694208
_cell_angle_beta 149.00694208
_cell_angle_gamma 44.40108787
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2UO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42602400
_cell_length_b 4.42602400
_cell_length_c 15.33763600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3618204974936985,
1.4708597463437554,
4.9117215314691585
],
[
2.575431035529794,
2.7816425487917265,
1.0060388832635918
],
[
0,
0,
0
],
[
3.4371694040595795,
3.712379221123438,
4.1140982104587565
],
[
0.5000821289639129,
0.5401230740120428,... | [
[
4.2651231604813304,
0,
-1.1825450826653667
],
[
-0.32787162745783793,
4.252502295135482,
-1.1825450826018833
],
[
0,
0,
8.28285058
]
] | [
55,
55,
92,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.022409 | 1.8352 | 0 | 139 | 139 | [
"Cs",
"U",
"O"
] |
mp-411 | mp-411 | ErCo3 | # generated using pymatgen
data_ErCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.58774205
_cell_length_b 8.58774205
_cell_length_c 8.58774259
_cell_angle_alpha 33.46520085
_cell_angle_beta 33.46520085
_cell_angle_gamma 33.46520333
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_ErCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94491590
_cell_length_b 4.94491590
_cell_length_c 24.29788614
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.928486223152434,
3.6292341736157145,
6.043325055962507
],
[
0.9608246270317934,
0.5881868389366245,
5.391755038182229
],
[
0,
0,
0
],
[
5.260643224657348,
1.7597737439606262,
4.0039349489801115
],
[
2.307671119621109,
1.4126842120485812,
... | [
[
4.735542161364317,
0,
1.4236687520723668
],
[
2.1537686888199095,
4.217421012552339,
1.4236687520723668
],
[
0,
0,
8.58774259
]
] | [
68,
68,
68,
27,
27,
27,
27,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.205977 | 0 | 0 | 166 | 166 | [
"Co",
"Er"
] |
mp-1186102 | mp-1186102 | NaAg2Sn | # generated using pymatgen
data_NaAg2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90898559
_cell_length_b 4.90898559
_cell_length_c 4.90898559
_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_NaAg2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94235400
_cell_length_b 6.94235400
_cell_length_c 6.94235400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.834204151834494,
2.004084975029239,
4.90898559
],
[
4.251306227751741,
3.0061274625438577,
7.363478385000001
],
[
1.417102075917247,
1.002042487514619,
2.454492795
],
[
0,
0,
0
]
] | [
[
4.251306227751741,
0,
2.4544927950000006
],
[
1.417102075917247,
4.008169950058476,
2.4544927950000006
],
[
0,
0,
4.90898559
]
] | [
11,
47,
47,
50
] | [
1,
1,
1
] | -0.107222 | 0 | 0.002701 | 225 | 225 | [
"Ag",
"Na",
"Sn"
] |
mp-984700 | mp-984700 | CeY3 | # generated using pymatgen
data_CeY3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05881200
_cell_length_b 5.05881200
_cell_length_c 5.05881200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | # generated using pymatgen
data_CeY3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05881200
_cell_length_b 5.05881200
_cell_length_c 5.05881200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | [
[
0,
0,
0
],
[
-1.548814480822055e-16,
2.529406,
2.529406
],
[
2.529406,
0,
2.529406
],
[
2.529406,
2.529406,
3.09762896164411e-16
]
] | [
[
5.058812,
0,
3.09762896164411e-16
],
[
-3.09762896164411e-16,
5.058812,
3.09762896164411e-16
],
[
0,
0,
5.058812
]
] | [
58,
39,
39,
39
] | [
1,
1,
1
] | 0.075263 | 0 | 0.075263 | 221 | 221 | [
"Ce",
"Y"
] |
mp-1147653 | mp-1147653 | CaCu3O4 | # generated using pymatgen
data_CaCu3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59866900
_cell_length_b 5.59866900
_cell_length_c 5.59866900
_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_CaCu3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59866900
_cell_length_b 5.59866900
_cell_length_c 5.59866900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7993345,
2.7993345,
2.7993345000000005
],
[
0,
0,
0
],
[
2.7993345,
0,
4.19900175
],
[
2.7993345,
0,
1.3996672500000003
],
[
4.19900175,
2.7993345,
4.2852450439596954e-16
],
[
-2.571147026375817e-16,
4.19900175,
2.799334... | [
[
5.598669,
0,
3.4281960351677563e-16
],
[
-3.4281960351677563e-16,
5.598669,
3.4281960351677563e-16
],
[
0,
0,
5.598669
]
] | [
20,
20,
29,
29,
29,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.560718 | 0 | 0 | 223 | 223 | [
"Ca",
"Cu",
"O"
] |
mp-1176693 | mp-1176693 | LiFeF4 | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71223726
_cell_length_b 6.71223726
_cell_length_c 6.60932028
_cell_angle_alpha 72.41240755
_cell_angle_beta 72.41240755
_cell_angle_gamma 33.98098353
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.83854000
_cell_length_b 3.92280600
_cell_length_c 6.60932028
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.41840472
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.23310348621524152,
5.015801343201233,
0.7628999323625733
],
[
2.9082739472994605,
1.2549536566002766,
2.8059472755924126
],
[
0.2827278350910818,
1.2955191706939924,
0.9253102549862224
],
[
2.8586495984236207,
4.9752358291075165,
2.643536952968761
],... | [
[
3.7515883125314216,
0,
-1.1462949168015055
],
[
-0.6102108790167192,
6.270754999801509,
-1.99709513524351
],
[
0,
0,
6.71223726
]
] | [
3,
3,
26,
26,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.811152 | 3.6599 | 0.020071 | 12 | 12 | [
"F",
"Fe",
"Li"
] |
mp-4525 | mp-4525 | SrRuO3 | # generated using pymatgen
data_SrRuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64823214
_cell_length_b 5.64823214
_cell_length_c 5.64823214
_cell_angle_alpha 120.83197146
_cell_angle_beta 120.83197146
_cell_angle_gamma 88.56492404
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrRuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57705600
_cell_length_b 5.57705600
_cell_length_c 8.08721200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.246711143532264,
1.1477979462597718,
0.07072767599734293
],
[
0.040152815255816925,
3.443393838779315,
0.07072767645887997
],
[
0,
0,
0
],
[
1.6434319793940404,
2.295595892519543,
-2.7533883937718886
],
[
1.1375363325656238,
0.9217001156137... | [
[
4.849990307670487,
0,
-2.753388394233425
],
[
-1.5631263488824063,
4.5911917850390855,
-2.7533883933103516
],
[
0,
0,
5.648232139999999
]
] | [
38,
38,
44,
44,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.180832 | 0 | 0.010369 | 140 | 140 | [
"O",
"Ru",
"Sr"
] |
mp-754673 | mp-754673 | Er6Te2Ru | # generated using pymatgen
data_Er6Te2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27174002
_cell_length_b 8.27174002
_cell_length_c 3.99815600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000018
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Er6Te2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27174002
_cell_length_b 8.27174002
_cell_length_c 3.99815600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.999078,
1.608469680304945e-16,
5.03081437798386
],
[
2.0866347842375242e-15,
5.450169367007454,
3.1466567740004203
],
[
2.7426093446914902e-15,
7.163536977827182,
-2.1574434812515064
],
[
1.999078000000001,
2.8067239326715345,
1.6204628298256527
],
... | [
[
3.998156,
0,
2.4481644739458925e-16
],
[
2.7426093446914902e-15,
7.163536977827182,
-4.135869987495086
],
[
0,
0,
8.27174002
]
] | [
68,
68,
68,
68,
68,
68,
52,
52,
44
] | [
1,
1,
1
] | -0.731998 | 0 | 0.055229 | 189 | 189 | [
"Er",
"Te",
"Ru"
] |
mp-1185168 | mp-1185168 | KRb3 | # generated using pymatgen
data_KRb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.08461767
_cell_length_b 10.08461767
_cell_length_c 7.91830600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999787
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KRb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.08461767
_cell_length_b 10.08461767
_cell_length_c 7.91830600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.938729500000001,
2.9111784257079494,
5.04230872677545
],
[
1.9795765000000014,
5.822356851415899,
-2.1644910101922765e-7
],
[
1.9795764999999999,
1.4760285965808702,
2.556556412958416
],
[
1.9795765000000014,
5.7814780839621065,
5.04230862007059
],
... | [
[
7.918306,
0,
4.848564048784642e-16
],
[
3.3436939792970663e-15,
8.733535277123847,
-5.04230915967365
],
[
0,
0,
10.08461767
]
] | [
19,
19,
37,
37,
37,
37,
37,
37
] | [
1,
1,
1
] | 0.023337 | 0 | 0.023337 | 194 | 194 | [
"K",
"Rb"
] |
mp-23210 | mp-23210 | MgCl2 | # generated using pymatgen
data_MgCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90807993
_cell_length_b 6.90807993
_cell_length_c 6.90807936
_cell_angle_alpha 30.85992465
_cell_angle_beta 30.85992465
_cell_angle_gamma 30.85991693
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_MgCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67593037
_cell_length_b 3.67593037
_cell_length_c 19.72198510
_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
],
[
1.3660357109297605,
0.8287609022138049,
1.9588296676671655
],
[
3.8141500690726686,
2.3140086508221938,
6.905286712307828
]
] | [
[
3.5434371215555376,
0,
0.9780185099874971
],
[
1.6367486584468922,
3.1427695530359987,
0.978018509987497
],
[
0,
0,
6.90807936
]
] | [
12,
17,
17
] | [
1,
1,
1
] | -2.265461 | 5.6735 | 0 | 166 | 166 | [
"Mg",
"Cl"
] |
mp-754688 | mp-754688 | Li4Co3OF11 | # generated using pymatgen
data_Li4Co3OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74959600
_cell_length_b 5.90716807
_cell_length_c 6.30195647
_cell_angle_alpha 100.49297905
_cell_angle_beta 100.76144432
_cell_angle_gamma 97.62970217
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li4Co3OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74959600
_cell_length_b 5.90716807
_cell_length_c 6.30195647
_cell_angle_alpha 100.49297905
_cell_angle_beta 100.76144432
_cell_angle_gamma 97.62970217
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.36208435910330056,
1.9324373277239466,
3.0821407444990117
],
[
3.2327270124762797,
0.8696969178335199,
1.2356675750674222
],
[
4.1642487942093664,
3.685161473879179,
0.9031415712501198
],
[
1.2091983605497552,
3.4534486390799146,
-0.06443516167598638
... | [
[
5.648478554402709,
0,
-1.0735661058680535
],
[
-1.0028028737391987,
5.721163299653452,
-1.0757841337119496
],
[
0,
0,
6.30195647
]
] | [
3,
3,
3,
3,
27,
27,
27,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.47887 | 1.0733 | 0.051301 | 1 | 1 | [
"Co",
"F",
"Li",
"O"
] |
mp-11793 | mp-11793 | SmCuSe2 | # generated using pymatgen
data_SmCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43832600
_cell_length_b 6.68792800
_cell_length_c 7.17178306
_cell_angle_alpha 83.68950017
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68792800
_cell_length_b 7.43832600
_cell_length_c 7.17178306
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.31049983
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.408580357898558,
2.1321256752763302,
3.3943015502760003
],
[
1.885199142202675,
1.4320383255734188,
7.113464550276
],
[
1.491050642303907,
4.996202326423168,
4.0440244497240005
],
[
4.0144318579997895,
5.69628967612608,
0.3248614497239997
],
[
... | [
[
6.687928,
0,
4.09517480906398e-16
],
[
-0.7882969997975362,
7.128328001699499,
4.391450584304105e-16
],
[
0,
0,
7.438326
]
] | [
62,
62,
62,
62,
29,
29,
29,
29,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.468742 | 0.7716 | 0 | 14 | 14 | [
"Cu",
"Se",
"Sm"
] |
mp-2579 | mp-2579 | HoPt2 | # generated using pymatgen
data_HoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43070877
_cell_length_b 5.43070877
_cell_length_c 5.43070877
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_HoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68018200
_cell_length_b 7.68018200
_cell_length_c 7.68018200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | [
[
3.1354211702499617,
2.2170775713596083,
5.430708770000001
],
[
1.5677105851249808,
1.1085387856798046,
2.7153543850000004
],
[
3.1354211702499617,
3.8798857498793144,
8.146063155
],
[
5.486987047937433,
3.8798857498793144,
6.7883859625000005
],
[
... | [
[
4.703131755374942,
0,
2.7153543850000004
],
[
1.5677105851249808,
4.4341551427192165,
2.7153543850000004
],
[
0,
0,
5.43070877
]
] | [
67,
67,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.103165 | 0 | 0.022765 | 227 | 227 | [
"Ho",
"Pt"
] |
mp-1102504 | mp-1102504 | CoPW | # generated using pymatgen
data_CoPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75231400
_cell_length_b 5.78797500
_cell_length_c 6.72936800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | # generated using pymatgen
data_CoPW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75231400
_cell_length_b 5.78797500
_cell_length_c 6.72936800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | [
[
0.9380784999999997,
4.976524056900001,
6.26389761544
],
[
0.9380784999999999,
2.0825365569,
3.8301543845599997
],
[
2.8142355,
0.8114509431,
0.46547038456000017
],
[
2.8142354999999997,
3.7054384431000003,
2.8992136154400003
],
[
0.93807849999999... | [
[
3.752314,
0,
2.2976296647479007e-16
],
[
-3.544112528647451e-16,
5.787975,
3.544112528647451e-16
],
[
0,
0,
6.729368
]
] | [
27,
27,
27,
27,
15,
15,
15,
15,
74,
74,
74,
74
] | [
1,
1,
1
] | -0.443917 | 0 | 0 | 62 | 62 | [
"Co",
"P",
"W"
] |
mp-1226821 | mp-1226821 | CaAlGa | # generated using pymatgen
data_CaAlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78788974
_cell_length_b 5.78788974
_cell_length_c 7.40364303
_cell_angle_alpha 51.66571715
_cell_angle_beta 51.66571715
_cell_angle_gamma 46.39331532
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaAlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63997400
_cell_length_b 4.55956400
_cell_length_c 7.40364303
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.43865963
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.701300724592705,
3.751778049211482,
2.972192544232785
],
[
2.491200349610936,
1.5588799185369342,
5.877501093919032
],
[
1.2220808332691353,
1.443612087346955,
2.9952177173374515
],
[
4.970420240934505,
3.8670458804014594,
5.854475920814366
],
[
... | [
[
4.2090570816438815,
0,
1.753129303036326
],
[
1.9834439925597604,
5.310657967748417,
1.1672743980599003
],
[
0,
0,
5.92928993705559
]
] | [
20,
20,
13,
13,
31,
31
] | [
1,
1,
1
] | -0.414762 | 0 | 0.008679 | 12 | 12 | [
"Al",
"Ca",
"Ga"
] |
mp-1218890 | mp-1218890 | Sr(B2Pt3)2 | # generated using pymatgen
data_Sr(B2Pt3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17032508
_cell_length_b 6.17032508
_cell_length_c 5.33667000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999010
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr(B2Pt3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17032508
_cell_length_b 6.17032508
_cell_length_c 5.33667000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.668335,
0,
1.6338839584014263e-16
],
[
3.035786076180001,
3.5624392013106587,
-6.155452728947084e-7
],
[
2.300883923820001,
1.7812196006553305,
3.085162232227363
],
[
0.35888572083000125,
1.7812196006553305,
3.0851622322273626
],
[
4.9777842791... | [
[
5.33667,
0,
3.2677679168028526e-16
],
[
2.045856482695246e-15,
5.343658801965987,
-3.0851634633179095
],
[
0,
0,
6.17032508
]
] | [
38,
5,
5,
5,
5,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.423699 | 0 | 0 | 164 | 164 | [
"B",
"Pt",
"Sr"
] |
mp-23209 | mp-23209 | SrCl2 | # generated using pymatgen
data_SrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98314129
_cell_length_b 4.98314129
_cell_length_c 4.98314129
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04722600
_cell_length_b 7.04722600
_cell_length_c 7.04722600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
0,
0,
0
],
[
1.4385089825957191,
1.0171794563911942,
2.4915706449999995
],
[
4.315526947787158,
3.0515383691735836,
7.474711934999999
]
] | [
[
4.315526947787158,
0,
2.4915706449999995
],
[
1.4385089825957187,
4.068717825564779,
2.4915706449999995
],
[
0,
0,
4.98314129
]
] | [
38,
17,
17
] | [
1,
1,
1
] | -2.894602 | 5.2286 | 0 | 225 | 225 | [
"Sr",
"Cl"
] |
mp-767769 | mp-767769 | LiVF5 | # generated using pymatgen
data_LiVF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47731500
_cell_length_b 5.66208172
_cell_length_c 7.38182927
_cell_angle_alpha 104.77394407
_cell_angle_beta 99.48962599
_cell_angle_gamma 110.17100215
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiVF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47731500
_cell_length_b 5.66208172
_cell_length_c 7.38182927
_cell_angle_alpha 104.77394407
_cell_angle_beta 99.48962599
_cell_angle_gamma 110.17100215
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.2121551969149459,
3.496223263767466,
4.367088090779899
],
[
2.9693482897845547,
1.507996649877274,
0.6678364568298115
],
[
0,
0,
3.690914635
],
[
0,
0,
0
],
[
0.7106730384220122,
1.6959051076346343,
3.8538421075588163
],
[
3.788... | [
[
5.402360513053286,
0,
-0.9030395872981631
],
[
-2.2208570263537855,
5.00421991364474,
-1.443865135092127
],
[
0,
0,
7.38182927
]
] | [
3,
3,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.088949 | 1.8174 | 0.011531 | 2 | 2 | [
"F",
"Li",
"V"
] |
mp-1039164 | mp-1039164 | MgCd | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18437300
_cell_length_b 5.24242700
_cell_length_c 5.30363500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18437300
_cell_length_b 5.24242700
_cell_length_c 5.30363500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | [
[
0,
0,
0.45626641541499996
],
[
1.5921864999999997,
2.6212135,
4.847368584585
],
[
1.5921865,
0,
3.152963274785
],
[
-1.6050303613284155e-16,
2.6212135,
2.150671725215
]
] | [
[
3.184373,
0,
1.9498661008706272e-16
],
[
-3.210060722656831e-16,
5.242427,
3.210060722656831e-16
],
[
0,
0,
5.303635
]
] | [
12,
12,
48,
48
] | [
1,
1,
1
] | -0.058936 | 0 | 0.039995 | 59 | 59 | [
"Cd",
"Mg"
] |
mp-1232121 | mp-1232121 | Dy2MgS4 | # generated using pymatgen
data_Dy2MgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18467344
_cell_length_b 7.18467344
_cell_length_c 7.18467344
_cell_angle_alpha 110.53791814
_cell_angle_beta 110.53791814
_cell_angle_gamma 107.35826420
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Dy2MgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18657399
_cell_length_b 8.18657399
_cell_length_c 8.51105999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8461016735432567,
2.212560643963035,
1.1796076972782668
],
[
-0.05593135207984757,
1.4326005660766201,
3.6730184226207983
],
[
-0.48646593060091997,
5.162641502580414,
2.6012605022750366
],
[
4.162919663220218,
2.9925207218494494,
-2.412729022690211
... | [
[
6.7280171634374195,
0,
-2.520578799503486
],
[
-3.494705136396066,
5.900161717234759,
-2.1435158407545685
],
[
0,
0,
7.18467344
]
] | [
66,
66,
66,
66,
12,
12,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.098357 | 2.3293 | 0.073873 | 122 | 122 | [
"Dy",
"Mg",
"S"
] |
mp-1187124 | mp-1187124 | Sr2TlPb | # generated using pymatgen
data_Sr2TlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85840797
_cell_length_b 5.85840797
_cell_length_c 5.85840797
_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_Sr2TlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28504001
_cell_length_b 8.28504001
_cell_length_c 8.28504001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.073530127753225,
3.5875275578885546,
8.787611955
],
[
1.6911767092510743,
1.1958425192961835,
2.929203984999999
],
[
0,
0,
0
],
[
3.3823534185021495,
2.391685038592369,
5.858407969999999
]
] | [
[
5.073530127753224,
0,
2.9292039849999996
],
[
1.6911767092510759,
4.78337007718474,
2.9292039849999996
],
[
0,
0,
5.85840797
]
] | [
38,
38,
81,
82
] | [
1,
1,
1
] | -0.492148 | 0 | 0 | 225 | 225 | [
"Pb",
"Sr",
"Tl"
] |
mp-1232290 | mp-1232290 | Cu3SbF12 | # generated using pymatgen
data_Cu3SbF12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79742291
_cell_length_b 6.79742229
_cell_length_c 6.79742300
_cell_angle_alpha 109.47121679
_cell_angle_beta 109.47121495
_cell_angle_gamma 109.47122816
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cu3SbF12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84898775
_cell_length_b 7.84898775
_cell_length_c 7.84898775
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.806504475636245,
2.775036108549095,
-2.8828423552770396e-7
],
[
1.6021685558102203,
2.7750361085490955,
4.531614970421294
],
[
0.000001191794416044445,
5.550072217098191,
-6.20451883648343e-7
],
[
0,
0,
0
],
[
5.958972080222225e-7,
2.775036... | [
[
6.408671839652049,
0,
-2.2658076074110576
],
[
-3.2043347280316086,
5.550072217098191,
-2.265808271746355
],
[
0,
0,
6.79742291
]
] | [
29,
29,
29,
51,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.05128 | 0 | 0 | 229 | 229 | [
"Cu",
"F",
"Sb"
] |
mp-554370 | mp-554370 | TiSCl6O | # generated using pymatgen
data_TiSCl6O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63209610
_cell_length_b 8.18878012
_cell_length_c 11.22515084
_cell_angle_alpha 108.50382913
_cell_angle_beta 91.38155732
_cell_angle_gamma 113.71642498
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_TiSCl6O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63209610
_cell_length_b 8.18878012
_cell_length_c 11.46397638
_cell_angle_alpha 99.83804833
_cell_angle_beta 105.52192778
_cell_angle_gamma 113.71642498
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.593272255195475,
5.3718510660608185,
7.484015035078172
],
[
-0.3203508086481359,
1.630359756983531,
0.9823763583638548
],
[
2.2715035014375538,
0.1649580825692788,
3.2488790924550526
],
[
1.001417945109785,
6.837252740475071,
5.217512300986974
],
[... | [
[
6.6301681652822335,
0,
-0.15990240684001833
],
[
-3.357246718734894,
7.00221082304435,
-2.5988570397179545
],
[
0,
0,
11.22515084
]
] | [
22,
22,
16,
16,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
8,
8
] | [
1,
1,
1
] | -1.666725 | 2.6385 | 0.02218 | 2 | 2 | [
"Cl",
"O",
"S",
"Ti"
] |
mp-1818 | mp-1818 | SiF4 | # generated using pymatgen
data_SiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84364717
_cell_length_b 4.84364717
_cell_length_c 4.84364717
_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_SiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59296200
_cell_length_b 5.59296200
_cell_length_c 5.59296200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | [
[
0,
0,
0
],
[
1.49142624465385,
2.9911397731084606e-16,
4.316348364251332
],
[
1.5376040511706657,
2.663208337960936,
1.08725025091076
],
[
1.5169035866684942e-17,
2.028045154166764e-17,
1.5818964165446399
],
[
-0.7457131223269249,
1.291613015... | [
[
4.566634346995182,
0,
-1.6145490573825076
],
[
-2.283317173497591,
3.954821353415665,
-1.6145490563087461
],
[
0,
0,
4.84364717
]
] | [
14,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.474476 | 7.94 | 0 | 217 | 217 | [
"Si",
"F"
] |
mvc-1132 | mvc-1132 | Ba2YNi3O8 | # generated using pymatgen
data_Ba2YNi3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94340800
_cell_length_b 3.94340800
_cell_length_c 11.55825400
_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_Ba2YNi3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94340800
_cell_length_b 3.94340800
_cell_length_c 11.55825400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.9717039999999997,
1.971704,
1.98547687212
],
[
1.9717039999999997,
1.971704,
9.57277712788
],
[
1.9717039999999997,
1.971704,
5.779127
],
[
0,
0,
3.9653364327959997
],
[
0,
0,
0
],
[
0,
0,
7.592917567204
],
[
-1.... | [
[
3.943408,
0,
2.4146409924660326e-16
],
[
-2.4146409924660326e-16,
3.943408,
2.4146409924660326e-16
],
[
0,
0,
11.558254
]
] | [
56,
56,
39,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.075313 | 0 | 0.074824 | 123 | 123 | [
"Ba",
"Ni",
"O",
"Y"
] |
mp-11971 | mp-11971 | HoSnRh | # generated using pymatgen
data_HoSnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61772580
_cell_length_b 7.61772580
_cell_length_c 3.77861000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999823
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoSnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61772580
_cell_length_b 7.61772580
_cell_length_c 3.77861000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.77861,
8.149495139279805e-17,
3.0840896142106
],
[
1.0225724142142797e-15,
2.6709000010914803,
-1.542044889615616
],
[
1.5031895565909172e-15,
3.926244178437292,
2.2668179716038805
],
[
1.8893050000000018,
4.8559929019466415,
-2.8036089091304204
],
... | [
[
3.77861,
0,
2.31373132086309e-16
],
[
2.525761970805197e-15,
6.597144179528772,
-3.8088631038011354
],
[
0,
0,
7.6177258
]
] | [
67,
67,
67,
50,
50,
50,
45,
45,
45
] | [
1,
1,
1
] | -0.904002 | 0 | 0 | 189 | 189 | [
"Ho",
"Sn",
"Rh"
] |
mp-1188876 | mp-1188876 | Sr2UCdO6 | # generated using pymatgen
data_Sr2UCdO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11993100
_cell_length_b 5.95210838
_cell_length_c 8.49302886
_cell_angle_alpha 90.71253571
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2UCdO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95210838
_cell_length_b 6.11993100
_cell_length_c 10.31027842
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.54508966
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.053618052571597,
3.346769946384,
2.0346702165211803
],
[
0.07779399257639456,
5.833126553616,
6.318194182727749
],
[
2.8980300674188073,
2.773161053616,
6.384339571065687
],
[
5.873854127414011,
0.2868044463840001,
2.1008156048591196
],
[
-1.87... | [
[
5.951648119990406,
0,
-0.07401907241313312
],
[
-3.7473769550763305e-16,
6.119931,
3.7473769550763305e-16
],
[
0,
0,
8.49302886
]
] | [
38,
38,
38,
38,
92,
92,
48,
48,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.155105 | 1.9435 | 0.010074 | 14 | 14 | [
"Cd",
"O",
"Sr",
"U"
] |
mp-867299 | mp-867299 | Eu2HgGe | # generated using pymatgen
data_Eu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40337910
_cell_length_b 5.40337910
_cell_length_c 5.40337910
_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_Eu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64153201
_cell_length_b 7.64153201
_cell_length_c 7.64153201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.679463566877897,
3.3088804204547504,
8.10506865
],
[
1.5598211889592994,
1.1029601401515847,
2.7016895500000015
],
[
0,
0,
0
],
[
3.1196423779185976,
2.2059202803031677,
5.4033791
]
] | [
[
4.679463566877897,
0,
2.7016895500000007
],
[
1.5598211889592988,
4.411840560606333,
2.70168955
],
[
0,
0,
5.4033790999999995
]
] | [
63,
63,
80,
32
] | [
1,
1,
1
] | -0.600134 | 0 | 0.029081 | 225 | 225 | [
"Eu",
"Ge",
"Hg"
] |
mp-583981 | mp-583981 | Li2Mo(PO4)2 | # generated using pymatgen
data_Li2Mo(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94598195
_cell_length_b 4.94598195
_cell_length_c 7.44784200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999932
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li2Mo(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94598195
_cell_length_b 4.94598195
_cell_length_c 7.44784200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.472991000417888,
1.4277820002280903,
6.039045446490001
],
[
4.0908084324310104e-16,
2.8555640004561815,
1.4087965535100002
],
[
0,
0,
3.723921
],
[
2.472991000417888,
1.4277820002280903,
1.9373922437760003
],
[
4.0908084324310104e-16,
2.855... | [
[
4.945982000835774,
0,
1.401082670640093e-15
],
[
-2.4729910004178857,
4.283346000684272,
3.028540481854042e-16
],
[
0,
0,
7.447842
]
] | [
3,
3,
42,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.555838 | 1.9179 | 0.027315 | 147 | 147 | [
"Li",
"Mo",
"O",
"P"
] |
mp-1220719 | mp-1220719 | Nb3In | # generated using pymatgen
data_Nb3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91599246
_cell_length_b 2.91599246
_cell_length_c 9.46730400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.96185235
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nb3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47055800
_cell_length_b 4.68692600
_cell_length_c 9.46730400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
1.0326478015255498,
1.3945722358804256,
2.4509145941279997
],
[
0,
0,
4.733652
],
[
1.0326478015255498,
1.3945722358804256,
7.016389405872
],
[
0,
0,
0
]
] | [
[
2.91599246,
0,
1.7855304162384082e-16
],
[
-0.8506968569489001,
2.7891444717608507,
1.7855304162384082e-16
],
[
0,
0,
9.467304
]
] | [
41,
41,
41,
49
] | [
1,
1,
1
] | 0.053389 | 0 | 0.053389 | 65 | 65 | [
"In",
"Nb"
] |
mp-1281621 | mp-1281621 | LiV(CO3)2 | # generated using pymatgen
data_LiV(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67756840
_cell_length_b 7.07296993
_cell_length_c 7.07294237
_cell_angle_alpha 68.36139362
_cell_angle_beta 109.12501840
_cell_angle_gamma 109.12531880
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_LiV(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67756840
_cell_length_b 7.94724000
_cell_length_c 5.37284637
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.22874924
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.735565386860761,
5.864533770127435,
7.660561290002996
],
[
1.7518791014421902,
2.670059531295252,
2.0542465190845345
],
[
3.5129708937476147,
5.378539805543967,
4.080912391957516
],
[
0.5293818652108112,
2.184193358971732,
5.546731024241795
],
[
... | [
[
4.419394414930191,
0,
1.5325139940510792
],
[
1.5482982771267078,
6.389612997416098,
2.608164453975622
],
[
0,
0,
7.07294237
]
] | [
3,
3,
23,
23,
6,
6,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.075381 | 2.0707 | 0.066522 | 5 | 5 | [
"C",
"Li",
"O",
"V"
] |
mp-21090 | mp-21090 | MnNiGe | # generated using pymatgen
data_MnNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09062151
_cell_length_b 4.09062151
_cell_length_c 5.29064700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999203
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09062151
_cell_length_b 4.09062151
_cell_length_c 5.29064700
_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,
2.6453235
],
[
0,
0,
0
],
[
2.0453110013914397,
1.1808606675576285,
1.3226617500000002
],
[
1.6249734149826565e-15,
2.361721335115258,
3.9679852500000004
],
[
1.6249734149826565e-15,
2.361721335115258,
1.32266175
],
[
2.0453... | [
[
4.090622002782878,
0,
1.1587789036170537e-15
],
[
-2.045311001391437,
3.5425820026728863,
2.504783269372406e-16
],
[
0,
0,
5.290647
]
] | [
25,
25,
28,
28,
32,
32
] | [
1,
1,
1
] | -0.228921 | 0 | 0.030281 | 194 | 194 | [
"Mn",
"Ni",
"Ge"
] |
mp-9640 | mp-9640 | SrCu(SeO3)2 | # generated using pymatgen
data_SrCu(SeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84677331
_cell_length_b 4.84677331
_cell_length_c 15.09780128
_cell_angle_alpha 89.15518552
_cell_angle_beta 89.15518552
_cell_angle_gamma 65.27073997
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_SrCu(SeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16312600
_cell_length_b 5.22764000
_cell_length_c 15.09780128
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.00321498
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.194957461862359,
4.139437407153326,
3.845912405723863
],
[
4.678011073354498,
0.2626646239945305,
11.394813045723863
],
[
0,
0,
0
],
[
0,
0,
7.54890064
],
[
2.4533104706182445,
1.5727081779539764,
1.464606798803794
],
[
2.454559... | [
[
4.846246453579548,
0,
0.07146208572386303
],
[
2.0267220816373093,
4.402102031147856,
0.07146208572386303
],
[
0,
0,
15.09780128
]
] | [
38,
38,
29,
29,
34,
34,
34,
34,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.732139 | 0.7134 | 0 | 15 | 15 | [
"Cu",
"O",
"Se",
"Sr"
] |
mp-1186307 | mp-1186307 | NdHoMg2 | # generated using pymatgen
data_NdHoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42088706
_cell_length_b 5.42088706
_cell_length_c 5.42088706
_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_NdHoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66629200
_cell_length_b 7.66629200
_cell_length_c 7.66629200
_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
],
[
3.12975060333756,
2.213067875042677,
5.420887060000002
],
[
4.6946259050063395,
3.3196018125640148,
8.131330590000001
],
[
1.56487530166878,
1.1065339375213388,
2.7104435300000014
]
] | [
[
4.6946259050063395,
0,
2.71044353
],
[
1.5648753016687798,
4.426135750085353,
2.7104435300000005
],
[
0,
0,
5.420887060000001
]
] | [
60,
67,
12,
12
] | [
1,
1,
1
] | -0.092289 | 0 | 0 | 225 | 225 | [
"Ho",
"Mg",
"Nd"
] |
mp-1113341 | mp-1113341 | Rb2TlAuCl6 | # generated using pymatgen
data_Rb2TlAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55317746
_cell_length_b 7.55317746
_cell_length_c 7.55317746
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2TlAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.68180600
_cell_length_b 10.68180600
_cell_length_c 10.68180600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.180414519884005,
1.5417858928075927,
3.7765887300000003
],
[
6.54124355965202,
4.625357678422774,
11.329766189999999
],
[
0,
0,
0
],
[
4.360829039768014,
3.0835717856151836,
7.55317746
],
[
3.294909417162997,
4.59100052158745,
5.7069656... | [
[
6.54124355965202,
0,
3.776588729999999
],
[
2.1804145198840086,
6.1671435712303655,
3.7765887299999985
],
[
0,
0,
7.55317746
]
] | [
37,
37,
81,
79,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.460995 | 0 | 0.060999 | 225 | 225 | [
"Au",
"Cl",
"Rb",
"Tl"
] |
mp-1030390 | mp-1030390 | TeMoWSeS2 | # generated using pymatgen
data_TeMoWSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30428770
_cell_length_b 3.30428770
_cell_length_c 37.59602700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999394
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TeMoWSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30428770
_cell_length_b 3.30428770
_cell_length_c 37.59602700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.6521440013312003,
0.9538656674137802,
35.975863812462
],
[
1.6521440013312003,
0.9538656674137802,
32.155092376533
],
[
0,
0,
34.06613602497
],
[
0,
0,
19.939729647936
],
[
1.6521440013312003,
0.9538656674137802,
27.001729763589
],
... | [
[
3.3042880026623993,
0,
9.360286104057688e-16
],
[
-1.6521440013311988,
2.8615970022413406,
2.023292677633485e-16
],
[
0,
0,
37.596027
]
] | [
52,
52,
42,
42,
74,
74,
34,
34,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.908727 | 0 | 0.076932 | 156 | 156 | [
"Mo",
"S",
"Se",
"Te",
"W"
] |
mp-9040 | mp-9040 | Ca3AuN | # generated using pymatgen
data_Ca3AuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84497100
_cell_length_b 4.84497100
_cell_length_c 4.84497100
_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_Ca3AuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84497100
_cell_length_b 4.84497100
_cell_length_c 4.84497100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4224855,
0,
2.4224855
],
[
-1.4833445567779377e-16,
2.4224855,
2.4224855
],
[
2.4224855,
2.4224855,
2.9666891135558755e-16
],
[
0,
0,
0
],
[
2.4224855,
2.4224855,
2.4224855000000005
]
] | [
[
4.844971,
0,
2.9666891135558755e-16
],
[
-2.9666891135558755e-16,
4.844971,
2.9666891135558755e-16
],
[
0,
0,
4.844971
]
] | [
20,
20,
20,
79,
7
] | [
1,
1,
1
] | -0.829472 | 0 | 0.02032 | 221 | 221 | [
"Au",
"Ca",
"N"
] |
mp-569267 | mp-569267 | Ca2CdSb2 | # generated using pymatgen
data_Ca2CdSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65808900
_cell_length_b 7.34462300
_cell_length_c 17.68074900
_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_Ca2CdSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65808900
_cell_length_b 7.34462300
_cell_length_c 17.68074900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.49356675,
5.666141616564,
7.897371752084999
],
[
1.1645222499999999,
5.350792883436,
16.737746252085
],
[
1.1645222499999999,
3.931422454817,
12.867607103474999
],
[
3.49356675,
7.085512045183001,
4.027232603475
],
[
3.4935667500000003,
1.9... | [
[
4.658089,
0,
2.8522568919967477e-16
],
[
-4.497284523947016e-16,
7.344623,
4.497284523947016e-16
],
[
0,
0,
17.680749
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
48,
48,
48,
48,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.862097 | 0.6477 | 0 | 62 | 62 | [
"Ca",
"Cd",
"Sb"
] |
mp-1184470 | mp-1184470 | Gd2ZnIn | # generated using pymatgen
data_Gd2ZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25954368
_cell_length_b 5.25954368
_cell_length_c 5.25954368
_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_Gd2ZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43811800
_cell_length_b 7.43811800
_cell_length_c 7.43811800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.5548984391938925,
3.2207995739700217,
7.889315519999999
],
[
1.5182994797312972,
1.0735998579900063,
2.629771839999999
],
[
0,
0,
0
],
[
3.0365989594625953,
2.147199715980015,
5.259543679999999
]
] | [
[
4.5548984391938925,
0,
2.6297718399999996
],
[
1.5182994797312974,
4.294399431960029,
2.62977184
],
[
0,
0,
5.259543679999999
]
] | [
64,
64,
30,
49
] | [
1,
1,
1
] | -0.426453 | 0 | 0 | 225 | 225 | [
"Gd",
"In",
"Zn"
] |
mp-217 | mp-217 | ErTl | # generated using pymatgen
data_ErTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77517400
_cell_length_b 3.77517400
_cell_length_c 3.77517400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er... | # generated using pymatgen
data_ErTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77517400
_cell_length_b 3.77517400
_cell_length_c 3.77517400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er... | [
[
0,
0,
0
],
[
1.8875869999999997,
1.887587,
1.8875870000000001
]
] | [
[
3.775174,
0,
2.311627377662155e-16
],
[
-2.311627377662155e-16,
3.775174,
2.311627377662155e-16
],
[
0,
0,
3.775174
]
] | [
68,
81
] | [
1,
1,
1
] | -0.298728 | 0 | 0.008756 | 221 | 221 | [
"Er",
"Tl"
] |
mp-1216029 | mp-1216029 | YCrFe11 | # generated using pymatgen
data_YCrFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41916641
_cell_length_b 6.41916641
_cell_length_c 6.41916641
_cell_angle_alpha 137.36836650
_cell_angle_beta 98.26548107
_cell_angle_gamma 96.92192477
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YCrFe11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66684200
_cell_length_b 8.40023401
_cell_length_c 8.51348601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.334312915721262,
0.036032472472106704,
1.7304564163465688
],
[
2.9515989379501915,
3.7892336434556917,
5.274043661801278
],
[
2.6568964555715064,
1.3385052987734227,
6.029293915047945
],
[
3.8384330912044073,
4.632684103047125,
3.0012857054807927
],
... | [
[
4.347587611393323,
0,
1.6964363348061757
],
[
2.1446842472941032,
5.979500908082783,
0.9228194671321179
],
[
0,
0,
6.419166409723818
]
] | [
39,
24,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | [
1,
1,
1
] | -0.014481 | 0 | 0.005163 | 44 | 44 | [
"Cr",
"Fe",
"Y"
] |
mp-28324 | mp-28324 | Sr3(InP2)2 | # generated using pymatgen
data_Sr3(InP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33345700
_cell_length_b 6.94813500
_cell_length_c 16.38222200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Sr3(InP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33345700
_cell_length_b 6.94813500
_cell_length_c 16.38222200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.1667285,
3.4740675,
8.191111
],
[
-1.2427496075935567e-16,
2.02956412977,
13.130252639667999
],
[
2.1667285,
1.4445033702299999,
4.939141639668
],
[
2.1667284999999996,
5.503631629769999,
11.443080360331999
],
[
-3.0117560363032906e-16,
4.9... | [
[
4.333457,
0,
2.653477122146346e-16
],
[
-4.2545056438968473e-16,
6.948135,
4.2545056438968473e-16
],
[
0,
0,
16.382222
]
] | [
38,
38,
38,
38,
38,
38,
49,
49,
49,
49,
15,
15,
15,
15,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.808263 | 0.5893 | 0 | 58 | 58 | [
"In",
"P",
"Sr"
] |
mp-20064 | mp-20064 | DyGa2 | # generated using pymatgen
data_DyGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22481155
_cell_length_b 4.22481155
_cell_length_c 4.10885000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999297
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22481155
_cell_length_b 4.22481155
_cell_length_c 4.10885000
_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
],
[
2.0544250000000006,
2.439196258457992,
-2.992811901307996e-7
],
[
2.054425,
1.2195981292289964,
2.112405625359405
]
] | [
[
4.10885,
0,
2.5159450003383014e-16
],
[
1.4007945668507994e-15,
3.6587943876869873,
-2.112406223921785
],
[
0,
0,
4.22481155
]
] | [
66,
31,
31
] | [
1,
1,
1
] | -0.642558 | 0 | 0 | 191 | 191 | [
"Dy",
"Ga"
] |
mp-1303642 | mp-1303642 | Sr3NbCoO7 | # generated using pymatgen
data_Sr3NbCoO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96588094
_cell_length_b 3.99846471
_cell_length_c 11.07266759
_cell_angle_alpha 79.52933258
_cell_angle_beta 79.91522576
_cell_angle_gamma 89.90873987
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr3NbCoO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 21.77658829
_cell_length_b 3.99846471
_cell_length_c 3.96588094
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.24034541
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.1728177606269194,
1.2152296957486104,
6.40146374367218
],
[
2.559691145561539,
2.680366988366517,
3.0738348051351716
],
[
1.9373852231091384,
2.0440695148923376,
-0.2737770124229216
],
[
3.396296918147636,
3.54400650622325,
7.624484893309342
],
[
... | [
[
3.904959916678309,
0,
-0.6924591535903138
],
[
-0.13370913847231183,
3.931280921035365,
-0.7175459729576263
],
[
0,
0,
11.06796237737483
]
] | [
38,
38,
38,
41,
27,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.810467 | 0 | 0.048446 | 8 | 8 | [
"Co",
"Nb",
"O",
"Sr"
] |
mp-567505 | mp-567505 | SiC | # generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09567458
_cell_length_b 3.09567458
_cell_length_c 20.24825100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001248
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09567458
_cell_length_b 3.09567458
_cell_length_c 20.24825100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
1.5478369980234967,
0.8936443322341379,
2.528439598872
],
[
1.5478369980234967,
0.8936443322341379,
7.592081712450001
],
[
0,
0,
20.246286919653
],
[
-1.8857781987983508e-16,
1.7872886644682762,
5.059956931896001
],
[
-1.8857781987983508e-16,
... | [
[
3.095673996046994,
0,
8.769330719520801e-16
],
[
-1.5478369980234974,
2.680932996702414,
1.8955539827994134e-16
],
[
0,
0,
20.248251
]
] | [
14,
14,
14,
14,
14,
14,
14,
14,
6,
6,
6,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.204324 | 1.8874 | 0.000396 | 186 | 186 | [
"Si",
"C"
] |
mp-13276 | mp-13276 | SrLiP | # generated using pymatgen
data_SrLiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38479041
_cell_length_b 4.38479041
_cell_length_c 8.06269400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000614
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrLiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38479041
_cell_length_b 4.38479041
_cell_length_c 8.06269400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
4.031347
],
[
2.19239500153242,
1.2657800009341462,
6.047020500000001
],
[
4.512092552008654e-16,
2.531560001868293,
2.0156735000000006
],
[
2.19239500153242,
1.2657800009341462,
2.015673500000001
],
[
4.5120925... | [
[
4.384790003064839,
0,
1.2421099160190923e-15
],
[
-2.192395001532419,
3.7973400028024398,
2.684909770269255e-16
],
[
0,
0,
8.062694
]
] | [
38,
38,
3,
3,
15,
15
] | [
1,
1,
1
] | -0.977812 | 1.3466 | 0 | 194 | 194 | [
"Sr",
"Li",
"P"
] |
mvc-15 | mvc-15 | CrS2 | # generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56335362
_cell_length_b 6.56335362
_cell_length_c 6.56335344
_cell_angle_alpha 62.71129593
_cell_angle_beta 62.71129593
_cell_angle_gamma 62.71129879
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | # generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83046582
_cell_length_b 6.83046582
_cell_length_c 15.73952675
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9167921663782458,
2.768606149290154,
4.78624137433427
],
[
2.9164512487301706,
2.6668929080070668e-17,
4.78624137433427
],
[
3.8332434151084165,
2.768606149290154,
6.290806028668541
],
[
3.8332434151084165,
2.768606149290154,
3.0091293086685416
],
... | [
[
5.832902497460341,
0,
3.009129308668541
],
[
1.8335843327564916,
5.537212298580308,
3.009129308668541
],
[
0,
0,
6.56335344
]
] | [
24,
24,
24,
24,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.840359 | 0 | 0.029461 | 166 | 166 | [
"Cr",
"S"
] |
mp-1291939 | mp-1291939 | SrNiO3 | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89340266
_cell_length_b 11.12972517
_cell_length_c 5.48377977
_cell_angle_alpha 89.98498803
_cell_angle_beta 89.97147250
_cell_angle_gamma 90.03248363
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89340266
_cell_length_b 5.48377977
_cell_length_c 11.12972517
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.0007529150461831233,
1.37102149831577,
9.747454794654526
],
[
3.89532973645621,
4.112856111349048,
6.942271819133178
],
[
3.8939678884971904,
1.370665052687163,
4.199379487166767
],
[
0.002153642401899976,
4.113102881399621,
1.3722414405078323
],
[... | [
[
3.893402034275501,
0,
0.002207350100618475
],
[
0.0027311822920563023,
5.4837789016445875,
-0.0014367958190196653
],
[
0,
0,
11.12972517
]
] | [
38,
38,
38,
38,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.758434 | 0 | 0.052064 | 51 | 51 | [
"Ni",
"O",
"Sr"
] |
mp-677103 | mp-677103 | RbHF2 | # generated using pymatgen
data_RbHF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60161772
_cell_length_b 5.60161772
_cell_length_c 5.60161772
_cell_angle_alpha 116.33680371
_cell_angle_beta 115.27242579
_cell_angle_gamma 97.43667462
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbHF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90886000
_cell_length_b 5.99701400
_cell_length_c 7.39146000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | [
[
-2.4905168504647084,
4.615356371867501,
-0.3448143244621912
],
[
-0.9452859823403182,
2.3076781859337503,
2.818504155569549
],
[
2.3240508680742797,
1.1713082168343931,
3.165076175994897
],
[
0.7638691394616715,
3.4440481550331072,
0.025349427476248906
... | [
[
5.065476331786017,
0,
-2.3914578422471804
],
[
-3.0904617362487805,
4.615356371867501,
-0.7250192400634796
],
[
0,
0,
5.601617720000001
]
] | [
37,
37,
1,
1,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.485399 | 6.6749 | 0.00172 | 46 | 46 | [
"Rb",
"H",
"F"
] |
mp-572291 | mp-572291 | K3ClO | # generated using pymatgen
data_K3ClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33791500
_cell_length_b 7.35301100
_cell_length_c 10.42158900
_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_K3ClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33791500
_cell_length_b 7.35301100
_cell_length_c 10.42158900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.42490196807499975,
3.5575190759980004,
2.6053972500000007
],
[
5.8048777982,
5.816768470803001,
0.30567562695900075
],
[
3.2440555319249995,
7.234024575998,
2.6053972500000007
],
[
2.1359276361149995,
5.212748029197,
10.115913373041002
],
[
5.2... | [
[
7.337915,
0,
4.493177058582675e-16
],
[
-4.50242069262264e-16,
7.353011,
4.50242069262264e-16
],
[
0,
0,
10.421589
]
] | [
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
17,
17,
17,
17,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.651614 | 1.0648 | 0.000395 | 62 | 62 | [
"Cl",
"K",
"O"
] |
mp-369 | mp-369 | TbAl3 | # generated using pymatgen
data_TbAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92720294
_cell_length_b 7.92720294
_cell_length_c 7.92720279
_cell_angle_alpha 46.10974071
_cell_angle_beta 46.10974071
_cell_angle_gamma 46.10974604
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TbAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20878364
_cell_length_b 6.20878364
_cell_length_c 21.21126901
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
6.296268739916635,
4.0756536367981235,
8.987933655468995
],
[
1.755647971722511,
1.1364529273543746,
3.802142999868989
],
[
0,
0,
0
],
[
5.658943428356973,
3.663104978032324,
6.040971375957343
],
[
4.631301088828335,
1.3731868074981812,
4... | [
[
5.712889294686134,
0,
2.4314369326689933
],
[
2.3390274169530123,
5.2121065641524975,
2.4314369326689933
],
[
0,
0,
7.92720279
]
] | [
65,
65,
65,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.432056 | 0 | 0.003472 | 166 | 166 | [
"Al",
"Tb"
] |
mp-974641 | mp-974641 | K3Tl | # generated using pymatgen
data_K3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61151346
_cell_length_b 6.61151346
_cell_length_c 6.61151346
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3... | # generated using pymatgen
data_K3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.35009200
_cell_length_b 9.35009200
_cell_length_c 9.35009200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3... | [
[
5.725738613822751,
4.048708601135731,
9.917270189999998
],
[
1.9085795379409174,
1.3495695337119118,
3.3057567300000006
],
[
3.817159075881834,
2.6991390674238214,
6.611513459999999
],
[
0,
0,
0
]
] | [
[
5.7257386138227515,
0,
3.3057567299999993
],
[
1.9085795379409158,
5.39827813484764,
3.305756729999999
],
[
0,
0,
6.611513459999999
]
] | [
19,
19,
19,
81
] | [
1,
1,
1
] | 0.011784 | 0 | 0.074671 | 225 | 225 | [
"K",
"Tl"
] |
mp-11977 | mp-11977 | LiSnAu | # generated using pymatgen
data_LiSnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75353692
_cell_length_b 4.75353692
_cell_length_c 6.13527800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001285
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiSnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75353692
_cell_length_b 4.75353692
_cell_length_c 6.13527800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
3.067639
],
[
-1.82420007446639e-17,
2.7444559980479037,
4.601458500000001
],
[
2.3767679983657573,
1.3722279990239519,
1.5338195000000008
],
[
2.3767679983657573,
1.3722279990239519,
4.601458500000001
],
[
-1.8... | [
[
4.7535359967315145,
0,
1.3465671545426128e-15
],
[
-2.376767998365759,
4.116683997071856,
2.9107018868533843e-16
],
[
0,
0,
6.135278
]
] | [
3,
3,
50,
50,
79,
79
] | [
1,
1,
1
] | -0.423531 | 0 | 0.00097 | 194 | 194 | [
"Li",
"Sn",
"Au"
] |
mp-554002 | mp-554002 | Al(HO)3 | # generated using pymatgen
data_Al(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95956200
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Al(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95956200
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.346385561816638,
2.9337952011213835,
-1.4529092467886913
],
[
-0.03525619899326871,
1.4097719219506417,
4.668119772259
],
[
0.2468228369459523,
3.7484987382789288,
-0.3249644889024293
],
[
0.942184307051615,
0.7605692225922706,
1.7437857179429463
],
... | [
[
4.902192396300865,
0,
-0.7521734783239714
],
[
-2.6290156891344325,
4.261202342984478,
-1.1971455839994636
],
[
0,
0,
5.19558482
]
] | [
13,
13,
1,
1,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.038477 | 5.2323 | 0.022831 | 1 | 1 | [
"Al",
"H",
"O"
] |
mp-16495 | mp-16495 | AlCrFe2 | # generated using pymatgen
data_AlCrFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00893787
_cell_length_b 4.00893794
_cell_length_c 4.00893700
_cell_angle_alpha 59.99999953
_cell_angle_beta 59.99999893
_cell_angle_gamma 59.99999512
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlCrFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66949384
_cell_length_b 5.66949384
_cell_length_c 5.66949384
_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
],
[
2.3145617267456164,
1.6366416778992996,
4.008937679974558
],
[
3.4718425901184244,
2.4549625168489495,
6.013406519961838
],
[
1.1572808633728082,
0.8183208389496501,
2.00446883998728
]
] | [
[
3.4718421532867443,
0,
2.0044688746480217
],
[
1.1572813002044884,
3.273283355798599,
2.004468876005065
],
[
0,
0,
4.00893760929603
]
] | [
13,
24,
26,
26
] | [
1,
1,
1
] | -0.164222 | 0 | 0.016952 | 225 | 225 | [
"Al",
"Cr",
"Fe"
] |
mp-20108 | mp-20108 | CaIn4Pd | # generated using pymatgen
data_CaIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75471031
_cell_length_b 8.75471031
_cell_length_c 7.64444700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.08098267
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51981800
_cell_length_b 16.91599999
_cell_length_c 7.64444700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.5569293050512875,
5.7333352500000005,
2.0843795314889784
],
[
3.809705254946883,
1.91111175,
5.503601440512066
],
[
1.3854676463690199,
7.264533272994001,
5.1852908034097025
],
[
2.9811669136291497,
0.37991372700600007,
2.4026901685913424
],
[
... | [
[
4.366634559998169,
0,
-1.1667293379989565
],
[
1.2293208364952615e-15,
7.644447,
4.680873774900793e-16
],
[
0,
0,
8.75471031
]
] | [
20,
20,
49,
49,
49,
49,
49,
49,
49,
49,
46,
46
] | [
1,
1,
1
] | -0.424111 | 0 | 0.005513 | 63 | 63 | [
"Ca",
"In",
"Pd"
] |
mp-767402 | mp-767402 | LiLaTi2O6 | # generated using pymatgen
data_LiLaTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55939900
_cell_length_b 5.55185500
_cell_length_c 7.76769300
_cell_angle_alpha 89.99924026
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_LiLaTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55185500
_cell_length_b 5.55939900
_cell_length_c 7.76769300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00075974
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.702075047633249e-16,
2.7796995,
3.8838465
],
[
-1.702075047633249e-16,
2.7796995,
1.702075047633249e-16
],
[
2.775927499755958,
5.508925216479001,
1.9419600586999899
],
[
2.7759274997559586,
0.05047378352099971,
5.825806558699989
],
[
2.775927... | [
[
5.551854999511917,
0,
0.00007361739997908964
],
[
-3.404150095266498e-16,
5.559399,
3.404150095266498e-16
],
[
0,
0,
7.767693
]
] | [
3,
3,
57,
57,
22,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.439723 | 1.6976 | 0.063063 | 13 | 13 | [
"La",
"Li",
"O",
"Ti"
] |
mp-975140 | mp-975140 | RbZn4P3 | # generated using pymatgen
data_RbZn4P3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08085500
_cell_length_b 4.08085500
_cell_length_c 10.23309400
_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_RbZn4P3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08085500
_cell_length_b 4.08085500
_cell_length_c 10.23309400
_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,
5.116547
],
[
-1.2494015033836178e-16,
2.0404275,
1.5970482812980002
],
[
-1.2494015033836178e-16,
2.0404275,
8.636045718702
],
[
2.0404275,
0,
8.636045718702
],
[
2.0404275,
0,
1.5970482812980002
],
[
0,
0,
0
],
... | [
[
4.080855,
0,
2.4988030067672356e-16
],
[
-2.4988030067672356e-16,
4.080855,
2.4988030067672356e-16
],
[
0,
0,
10.233094
]
] | [
37,
30,
30,
30,
30,
15,
15,
15
] | [
1,
1,
1
] | -0.300223 | 0.4591 | 0 | 123 | 123 | [
"P",
"Rb",
"Zn"
] |
mp-753559 | mp-753559 | LiNiOF | # generated using pymatgen
data_LiNiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95617000
_cell_length_b 2.95617000
_cell_length_c 16.66515500
_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_LiNiOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95617000
_cell_length_b 2.95617000
_cell_length_c 16.66515500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-9.050660320588579e-17,
1.478085,
5.25732311754
],
[
1.478085,
0,
7.33076837233
],
[
-9.050660320588579e-17,
1.478085,
9.33438662767
],
[
1.478085,
0,
11.40783188246
],
[
-9.050660320588579e-17,
1.478085,
13.506908145639999
],
[
1... | [
[
2.95617,
0,
1.8101320641177158e-16
],
[
-1.8101320641177158e-16,
2.95617,
1.8101320641177158e-16
],
[
0,
0,
16.665155
]
] | [
3,
3,
3,
3,
28,
28,
28,
28,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.152455 | 2.2433 | 0.03956 | 129 | 129 | [
"F",
"Li",
"Ni",
"O"
] |
mp-568690 | mp-568690 | CdBr2 | # generated using pymatgen
data_CdBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24640186
_cell_length_b 7.24640186
_cell_length_c 7.24640196
_cell_angle_alpha 32.67990292
_cell_angle_beta 32.67990292
_cell_angle_gamma 32.67990334
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CdBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07734599
_cell_length_b 4.07734599
_cell_length_c 20.56012677
_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
],
[
4.234877714228827,
2.5852237528637683,
7.2944501426489134
],
[
1.4659586761003733,
0.8949092384504751,
2.2461595855453886
]
] | [
[
3.912659312781944,
0,
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],
[
1.7881770775472567,
3.480132991314244,
1.147103884097152
],
[
0,
0,
7.24640196
]
] | [
48,
35,
35
] | [
1,
1,
1
] | -1.237488 | 2.9358 | 0.001053 | 166 | 166 | [
"Br",
"Cd"
] |
mp-1208446 | mp-1208446 | Tb6Co2Sn | # generated using pymatgen
data_Tb6Co2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41675138
_cell_length_b 8.41675138
_cell_length_c 8.41675138
_cell_angle_alpha 112.19451996
_cell_angle_beta 109.35335010
_cell_angle_gamma 106.90913345
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Tb6Co2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.38947200
_cell_length_b 9.73295999
_cell_length_c 10.02367799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.5814555838447972,
5.254528802927765,
5.754440520726772
],
[
5.2928759397218705,
1.5980752283137365,
-2.574993913889995
],
[
3.035954495016959,
5.254528802927765,
0.6098206102368353
],
[
0.6754658608601167,
1.5980752283137365,
2.569625996599941
],
... | [
[
7.941144233011994,
0,
-2.789252954483856
],
[
-4.229723877134919,
6.852604031241502,
-2.448051818679367
],
[
0,
0,
8.41675138
]
] | [
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65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
27,
27,
27,
27,
50,
50
] | [
1,
1,
1
] | -0.318461 | 0 | 0.002527 | 71 | 71 | [
"Co",
"Sn",
"Tb"
] |
mp-675376 | mp-675376 | HoAgSe2 | # generated using pymatgen
data_HoAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07006275
_cell_length_b 10.86835176
_cell_length_c 7.27507472
_cell_angle_alpha 28.88072017
_cell_angle_beta 56.26054981
_cell_angle_gamma 41.98899641
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.37582516
_cell_length_b 5.70441728
_cell_length_c 5.70784464
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.23327077
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.0018431378371386086,
0.03412079818724661,
7.2800018571557485
],
[
3.692181728801135,
1.327179087703777,
5.8749782376764195
],
[
0.6232156387833431,
3.8896545115624415,
5.88881220055508
],
[
2.142225682663996,
2.5398825531039306,
2.2341697565414305
],... | [
[
5.2485588286936276,
0,
2.234503674111286
],
[
-0.9526644455367739,
5.163199624003968,
2.239037862566814
],
[
0,
0,
7.26878272001627
]
] | [
67,
67,
47,
47,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.399353 | 0.7128 | 0.039868 | 8 | 8 | [
"Ag",
"Ho",
"Se"
] |
mp-1186397 | mp-1186397 | PaCd | # generated using pymatgen
data_PaCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11575613
_cell_length_b 3.11575613
_cell_length_c 5.77686600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000280
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_PaCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11575613
_cell_length_b 3.11575613
_cell_length_c 5.77686600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
0,
0,
0
],
[
1.5578779990675071,
0.8994413328810771,
2.8884330000000005
]
] | [
[
3.1157559981350147,
0,
8.826218401506966e-16
],
[
-1.5578779990675071,
2.6983239986432315,
1.9078503857641221e-16
],
[
0,
0,
5.776866
]
] | [
91,
48
] | [
1,
1,
1
] | 0.071793 | 0 | 0.071793 | 187 | 187 | [
"Cd",
"Pa"
] |
mp-1781 | mp-1781 | NdRu2 | # generated using pymatgen
data_NdRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43182034
_cell_length_b 5.43182034
_cell_length_c 5.43182034
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68175399
_cell_length_b 7.68175399
_cell_length_c 7.68175399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
1.568031467744342,
1.10876568395592,
2.7159101699999995
],
[
3.136062935488684,
2.21753136791184,
5.43182034
],
[
4.704094403233026,
1.6631485259338792,
8.14773051
],
[
5.488110137105196,
3.8806798938457185,
9.505685595
],
[
3.1360629354886833,
... | [
[
4.704094403233026,
0,
2.7159101700000003
],
[
1.5680314677443412,
4.435062735823678,
2.7159101700000003
],
[
0,
0,
5.431820339999999
]
] | [
60,
60,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.136152 | 0 | 0.020587 | 227 | 227 | [
"Nd",
"Ru"
] |
mp-1105198 | mp-1105198 | Rb2PaF7 | # generated using pymatgen
data_Rb2PaF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00447855
_cell_length_b 8.00447855
_cell_length_c 8.31528107
_cell_angle_alpha 59.36769301
_cell_angle_beta 59.36769301
_cell_angle_gamma 52.45549675
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2PaF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.36074600
_cell_length_b 7.07500400
_cell_length_c 8.31528107
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.61129866
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.639674528678825,
1.5611833567321918,
2.8147012878193225
],
[
4.903616331080123,
1.8177966114346553,
6.247374395668543
],
[
5.841937627653494,
5.196776579601499,
12.096185465276154
],
[
3.577995825252197,
4.9401633248990375,
8.663512357426935
],
[
... | [
[
6.362078143811153,
0,
3.0950998902695424
],
[
2.119534012521166,
6.757959936333691,
3.7295080005390475
],
[
0,
0,
8.086278862286886
]
] | [
37,
37,
37,
37,
91,
91,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.796225 | 3.9772 | 0 | 15 | 15 | [
"F",
"Pa",
"Rb"
] |
mp-23536 | mp-23536 | SbI3Cl8 | # generated using pymatgen
data_SbI3Cl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57720300
_cell_length_b 7.83465049
_cell_length_c 8.12521382
_cell_angle_alpha 94.50718997
_cell_angle_beta 93.60379846
_cell_angle_gamma 101.10452135
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SbI3Cl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57720300
_cell_length_b 7.83465049
_cell_length_c 8.12521382
_cell_angle_alpha 94.50718997
_cell_angle_beta 93.60379846
_cell_angle_gamma 101.10452135
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.7753575131488617,
3.827465535242128,
3.7547670515482303
],
[
0,
0,
0
],
[
3.9492936921089687,
5.834611426716311,
6.0058883511316425
],
[
2.062210843796416,
1.8203196437679448,
1.0273678958328856
],
[
5.050805801410936,
2.3500791485008077,
... | [
[
7.562219562203108,
0,
-0.4762778561319331
],
[
-1.5507150262977234,
7.654931070484256,
-0.61567971690354
],
[
0,
0,
8.12521382
]
] | [
51,
53,
53,
53,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -0.827111 | 1.2358 | 0 | 2 | 2 | [
"Cl",
"I",
"Sb"
] |
mp-1176453 | mp-1176453 | Mn5CrO12 | # generated using pymatgen
data_Mn5CrO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06148731
_cell_length_b 5.06148731
_cell_length_c 9.34448914
_cell_angle_alpha 89.95596949
_cell_angle_beta 89.95596949
_cell_angle_gamma 120.29303936
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Mn5CrO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03905200
_cell_length_b 8.77966800
_cell_length_c 9.34448914
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.08845312
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5195229964255366,
2.9264740551361275,
4.676134208077648
],
[
5.039187925979872,
2.9263087047222016,
9.352268635271574
],
[
2.519664929554336,
1.4635252933339362,
9.348378997193926
],
[
5.039045992851074,
1.4633599429200095,
4.680023846155295
],
[
... | [
[
5.039045992851075,
0,
0.007779276155295498
],
[
2.519522996425536,
4.389833998056138,
0.0038896380776476587
],
[
0,
0,
9.34448914
]
] | [
25,
25,
25,
25,
25,
24,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.797175 | 0.8397 | 0.048967 | 12 | 12 | [
"Cr",
"Mn",
"O"
] |
mp-5813 | mp-5813 | TaNO | # generated using pymatgen
data_TaNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87111764
_cell_length_b 6.87111764
_cell_length_c 6.76544949
_cell_angle_alpha 73.08717204
_cell_angle_beta 73.08717204
_cell_angle_gamma 32.89909846
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta... | # generated using pymatgen
data_TaNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.17975800
_cell_length_b 3.89140200
_cell_length_c 6.76544949
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.65783824
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.1275993564320457,
1.3395780932783379,
0.3348314329368046
],
[
1.0234084742192961,
5.1071169025989915,
3.4661738939437137
],
[
1.0500326876318158,
1.2484669529016035,
3.556347227272482
],
[
2.1009751430195256,
5.1982280429757255,
0.24465809960803497
]... | [
[
3.732124767895497,
0,
-1.1019320527979235
],
[
-0.5811169372441557,
6.44669499587733,
-1.9681802603215584
],
[
0,
0,
6.871117639999999
]
] | [
73,
73,
73,
73,
7,
7,
7,
7,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.256469 | 2.2546 | 0.011279 | 12 | 12 | [
"N",
"O",
"Ta"
] |
mp-973285 | mp-973285 | HoLuAu2 | # generated using pymatgen
data_HoLuAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03776529
_cell_length_b 5.03776529
_cell_length_c 5.03776529
_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_HoLuAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12447600
_cell_length_b 7.12447600
_cell_length_c 7.12447600
_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
],
[
2.9085551462956527,
2.056659067400687,
5.037765289999999
],
[
4.362832719443479,
3.0849886011010303,
7.556647934999999
],
[
1.4542775731478266,
1.028329533700344,
2.518882645
]
] | [
[
4.36283271944348,
0,
2.5188826449999997
],
[
1.4542775731478255,
4.113318134801374,
2.518882645
],
[
0,
0,
5.037765289999999
]
] | [
67,
71,
79,
79
] | [
1,
1,
1
] | -0.883844 | 0 | 0.014392 | 225 | 225 | [
"Au",
"Ho",
"Lu"
] |
mp-2979 | mp-2979 | ZnGeN2 | # generated using pymatgen
data_ZnGeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24963000
_cell_length_b 5.51051000
_cell_length_c 6.49692500
_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_ZnGeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24963000
_cell_length_b 5.51051000
_cell_length_c 6.49692500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.24734641095,
3.2195430200499997,
5.68697934795
],
[
2.6225314109499993,
5.04622197995,
2.4385168479500003
],
[
2.6225314109499998,
2.29096697995,
0.8099456520500004
],
[
5.24734641095,
0.46428802004999997,
4.058408152050001
],
[
0.0008871874699... | [
[
5.24963,
0,
3.21447128810396e-16
],
[
-3.3742142165847406e-16,
5.51051,
3.3742142165847406e-16
],
[
0,
0,
6.496925
]
] | [
30,
30,
30,
30,
32,
32,
32,
32,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.373323 | 1.6966 | 0 | 33 | 33 | [
"Zn",
"Ge",
"N"
] |
mp-1215845 | mp-1215845 | Yb2Ru | # generated using pymatgen
data_Yb2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34639400
_cell_length_b 3.34639400
_cell_length_c 7.34010900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_Yb2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34639400
_cell_length_b 3.34639400
_cell_length_c 7.34010900
_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,
0,
5.720748832638
],
[
0,
0,
1.6193601673620002
],
[
1.673197,
1.673197,
2.049075350392954e-16
]
] | [
[
3.346394,
0,
2.049075350392954e-16
],
[
-2.049075350392954e-16,
3.346394,
2.049075350392954e-16
],
[
0,
0,
7.340109
]
] | [
70,
70,
44
] | [
1,
1,
1
] | 0.011357 | 0 | 0.06848 | 123 | 123 | [
"Ru",
"Yb"
] |
mp-1186075 | mp-1186075 | Na3SO4F | # generated using pymatgen
data_Na3SO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94078000
_cell_length_b 4.94078000
_cell_length_c 4.94078000
_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_Na3SO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94078000
_cell_length_b 4.94078000
_cell_length_c 4.94078000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.5126776030728149e-16,
2.47039,
1.5126776030728149e-16
],
[
2.47039,
0,
1.5126776030728149e-16
],
[
0,
0,
2.47039
],
[
2.47039,
2.47039,
2.4703900000000005
],
[
1.60342145184,
1.60342145184,
1.60342145184
],
[
3.33735854816,
... | [
[
4.94078,
0,
3.0253552061456298e-16
],
[
-3.0253552061456298e-16,
4.94078,
3.0253552061456298e-16
],
[
0,
0,
4.94078
]
] | [
11,
11,
11,
16,
8,
8,
8,
8,
9
] | [
1,
1,
1
] | -2.415112 | 5.1366 | 0.022487 | 215 | 215 | [
"F",
"Na",
"O",
"S"
] |
mp-1018131 | mp-1018131 | LuAg2 | # generated using pymatgen
data_LuAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25353887
_cell_length_b 5.25353887
_cell_length_c 5.25353887
_cell_angle_alpha 138.74233964
_cell_angle_beta 138.74233964
_cell_angle_gamma 59.76795197
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70177600
_cell_length_b 3.70177600
_cell_length_c 9.11001600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
0,
0,
0
],
[
1.9832168582201934,
2.2873520427343217,
0.014673637653755319
],
[
0.9902510410140961,
1.1421104717293087,
2.630500491342836
]
] | [
[
3.464426922636797,
0,
-1.3041823702105035
],
[
-0.4909590234025075,
3.429462514463631,
-1.3041823707929054
],
[
0,
0,
5.25353887
]
] | [
71,
47,
47
] | [
1,
1,
1
] | -0.341103 | 0 | 0 | 139 | 139 | [
"Ag",
"Lu"
] |
mp-1114624 | mp-1114624 | Rb3InBr6 | # generated using pymatgen
data_Rb3InBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41724497
_cell_length_b 8.41724497
_cell_length_c 8.41724497
_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_Rb3InBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.90378199
_cell_length_b 11.90378199
_cell_length_c 11.90378199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4298493246322614,
1.7181629347090246,
4.208622485
],
[
7.289547973896784,
5.154488804127074,
12.625867455000002
],
[
4.859698649264522,
3.4363258694180483,
8.41724497
],
[
0,
0,
0
],
[
3.5335549236613217,
5.311776311822077,
6.1202966591... | [
[
7.289547973896785,
0,
4.208622485000001
],
[
2.4298493246322597,
6.872651738836098,
4.208622485000002
],
[
0,
0,
8.417244969999999
]
] | [
37,
37,
37,
49,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.686068 | 2.5129 | 0.057682 | 225 | 225 | [
"Br",
"In",
"Rb"
] |
mp-1227376 | mp-1227376 | Ca2AlP3Pt7 | # generated using pymatgen
data_Ca2AlP3Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.93705021
_cell_length_b 13.93705021
_cell_length_c 13.93705021
_cell_angle_alpha 163.34172288
_cell_angle_beta 163.34172288
_cell_angle_gamma 23.64285976
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Ca2AlP3Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03782600
_cell_length_b 4.03782600
_cell_length_c 27.28291400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.603001287033003,
2.659405049539942,
3.8425700868382053
],
[
1.3066007193338072,
1.33491311281276,
8.924645863625429
],
[
1.9548010031834053,
1.9971590811763513,
-0.5849171297681833
],
[
3.433537589255537,
3.5079380283593387,
9.515490868636299
],
[
... | [
[
3.995236008609937,
0,
-0.5849171297456939
],
[
-0.08563400224312641,
3.9943181623527018,
-0.5849171297906727
],
[
0,
0,
13.93705021
]
] | [
20,
20,
13,
15,
15,
15,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.911609 | 0 | 0 | 119 | 119 | [
"Al",
"Ca",
"P",
"Pt"
] |
mp-1210184 | mp-1210184 | Na6MgCl8 | # generated using pymatgen
data_Na6MgCl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02147165
_cell_length_b 8.02147165
_cell_length_c 8.02147165
_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_Na6MgCl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.34407400
_cell_length_b 11.34407400
_cell_length_c 11.34407400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.788998520530562,
6.549504176233683,
10.026839562500001
],
[
1.1577997041061119,
3.2747520881168417,
10.0268395625
],
[
5.788998520530562,
6.549504176233683,
14.037575387500002
],
[
1.1577997041061119,
3.2747520881168417,
6.016103737499999
],
[
... | [
[
6.9467982246366775,
0,
4.010735825000001
],
[
2.3155994082122238,
6.549504176233683,
4.010735825000002
],
[
0,
0,
8.021471649999999
]
] | [
11,
11,
11,
11,
11,
11,
12,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.148045 | 5.244 | 0 | 225 | 225 | [
"Cl",
"Mg",
"Na"
] |
mp-1229166 | mp-1229166 | Cs(NpSe3)2 | # generated using pymatgen
data_Cs(NpSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.44389607
_cell_length_b 12.44389607
_cell_length_c 12.44389607
_cell_angle_alpha 160.91468760
_cell_angle_beta 154.49931026
_cell_angle_gamma 32.04702716
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_Cs(NpSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12594400
_cell_length_b 5.49281800
_cell_length_c 23.92086399
_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
],
[
0.7262943642731462,
1.0059909256463941,
4.320402201388198
],
[
3.1387621473739786,
4.347502050605351,
6.227204186601393
],
[
1.52374251897465,
0.666574117459057,
9.064054220652174
],
[
2.341313992672474,
4.686918858792688,
1.... | [
[
4.06885104871882,
0,
-0.6840065915949756
],
[
-0.20379453707169476,
5.353492976251745,
-1.2122830904154334
],
[
0,
0,
12.443896070000001
]
] | [
55,
93,
93,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.345604 | 0 | 0 | 71 | 71 | [
"Cs",
"Np",
"Se"
] |
mp-1228421 | mp-1228421 | Ba2Ni3N2 | # generated using pymatgen
data_Ba2Ni3N2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33190766
_cell_length_b 6.33190766
_cell_length_c 7.41516900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.49765370
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2Ni3N2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12747200
_cell_length_b 10.46763399
_cell_length_c 7.41516900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.5414802515073446,
3.941243462502205,
4.383254699280001
],
[
3.468628760951673,
1.9481312615395527,
3.0319143007200005
],
[
-0.8575304038394759,
4.8938378380359,
0.675670199280001
],
[
4.867639416298494,
0.9955368860058585,
6.73949880072
],
[
1.... | [
[
6.33190766,
0,
3.8771752241578034e-16
],
[
-2.3204106695822975,
5.891413152992693,
3.8771752241578034e-16
],
[
0,
0,
7.415169
]
] | [
56,
56,
56,
56,
28,
28,
28,
28,
28,
28,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.510604 | 0 | 0 | 41 | 41 | [
"Ba",
"N",
"Ni"
] |
mp-554051 | mp-554051 | H6CNF | # generated using pymatgen
data_H6CNF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23632239
_cell_length_b 5.23632239
_cell_length_c 5.23632165
_cell_angle_alpha 50.73296133
_cell_angle_beta 50.73296133
_cell_angle_gamma 50.73296109
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_H6CNF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48654985
_cell_length_b 4.48654985
_cell_length_c 13.65226131
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7761511906120635,
2.8830369004827046,
2.5975847730910817
],
[
3.733708720889089,
1.441643641902693,
2.5975847730910817
],
[
1.9602652805128737,
1.302258609524024,
4.258582798461955
],
[
4.339780975239108,
2.883036900482704,
3.338929800433289
],
[
... | [
[
4.053984124082957,
0,
1.9220668478312466
],
[
1.5713484875629873,
3.7370645176328137,
1.9220668478312466
],
[
0,
0,
5.23632165
]
] | [
1,
1,
1,
1,
1,
1,
6,
7,
9
] | [
1,
1,
1
] | -0.708874 | 6.0701 | 0.073138 | 160 | 160 | [
"C",
"F",
"H",
"N"
] |
mp-1103440 | mp-1103440 | GdZnRh | # generated using pymatgen
data_GdZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09443000
_cell_length_b 7.03094100
_cell_length_c 8.19876300
_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_GdZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09443000
_cell_length_b 7.03094100
_cell_length_c 8.19876300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0236075,
0.26325249292200004,
2.590030225515
],
[
1.0236074999999998,
3.778722992922,
1.5093512744850004
],
[
3.0708225,
6.767688507078001,
5.608732774485
],
[
3.0708225000000002,
3.2522180070780005,
6.689411725515
],
[
1.0236074999999998,
... | [
[
4.09443,
0,
2.507115296916449e-16
],
[
-4.3052096953219455e-16,
7.030941,
4.3052096953219455e-16
],
[
0,
0,
8.198763
]
] | [
64,
64,
64,
64,
30,
30,
30,
30,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.711643 | 0 | 0 | 62 | 62 | [
"Gd",
"Rh",
"Zn"
] |
mp-1224043 | mp-1224043 | In2AgS3Br | # generated using pymatgen
data_In2AgS3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80790433
_cell_length_b 7.80790433
_cell_length_c 7.80790481
_cell_angle_alpha 60.99311648
_cell_angle_beta 60.99311648
_cell_angle_gamma 60.99311899
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_In2AgS3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92481397
_cell_length_b 7.92481397
_cell_length_c 18.98057754
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
3.4142460886283326,
6.678138469413757e-17,
9.70098857806055
],
[
1.1149582189505651,
3.2270643817111013,
9.70098857806055
],
[
0,
0,
3.903952405
],
[
3.7997034865743955,
2.707294030006422,
6.451503082684488
],
[
5.258... | [
[
6.828492177256665,
0,
3.786167536121098
],
[
2.2299164379011303,
6.454128763422203,
3.786167536121098
],
[
0,
0,
7.80790481
]
] | [
49,
49,
49,
49,
47,
47,
16,
16,
16,
16,
16,
16,
35,
35
] | [
1,
1,
1
] | -0.816908 | 0.9666 | 0.008497 | 166 | 166 | [
"Ag",
"Br",
"In",
"S"
] |
mp-34038 | mp-34038 | Li6NCl3 | # generated using pymatgen
data_Li6NCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73953145
_cell_length_b 3.73953145
_cell_length_c 13.52890731
_cell_angle_alpha 81.41863716
_cell_angle_beta 81.41863716
_cell_angle_gamma 60.06310920
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li6NCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47499801
_cell_length_b 3.74309800
_cell_length_c 13.52890731
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.92459655
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6394840460761981,
1.124477459671651,
12.74017511410039
],
[
1.3965266525782292,
3.127947863171143,
10.852621561118166
],
[
0.057492782947894956,
0.24183338441265537,
1.7047700950060198
],
[
0.8628320572585617,
0.7540926121997216,
7.713691752311686
],... | [
[
3.7089703833428014,
0,
-0.4771102189484725
],
[
-1.8870134982999578,
3.2282329187934615,
-0.04228173117441684
],
[
0,
0,
13.487677912099196
]
] | [
3,
3,
3,
3,
3,
3,
7,
17,
17,
17
] | [
1,
1,
1
] | -1.435569 | 1.3869 | 0.03368 | 8 | 8 | [
"Cl",
"Li",
"N"
] |
mp-1183408 | mp-1183408 | Be3Pd | # generated using pymatgen
data_Be3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29949461
_cell_length_b 4.29949461
_cell_length_c 4.29949461
_cell_angle_alpha 134.56801515
_cell_angle_beta 134.56801515
_cell_angle_gamma 66.20215248
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Be3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32061600
_cell_length_b 3.32061600
_cell_length_c 7.20344600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | [
[
2.1630730507227707,
0.7539073668059552,
0.8674465191818344
],
[
0.363145261878394,
2.261722100417865,
0.8674465192816239
],
[
1.2631091563005825,
1.5078147336119103,
-1.2823007857682711
],
[
0,
0,
0
]
] | [
[
3.0630369451449595,
0,
-1.2823007858680604
],
[
-0.5368186325437945,
3.0156294672238197,
-1.2823007856684814
],
[
0,
0,
4.29949461
]
] | [
4,
4,
4,
46
] | [
1,
1,
1
] | -0.313237 | 0 | 0.071447 | 139 | 139 | [
"Be",
"Pd"
] |
mp-1205606 | mp-1205606 | Sr2CrMoO6 | # generated using pymatgen
data_Sr2CrMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64174055
_cell_length_b 5.64174055
_cell_length_c 5.64174055
_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_Sr2CrMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97862600
_cell_length_b 7.97862600
_cell_length_c 7.97862600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6286302126202636,
1.1516154673890784,
2.8208702750000003
],
[
4.885890637860791,
3.4548464021672323,
8.462610824999999
],
[
3.2572604252405273,
2.3032309347781554,
5.64174055
],
[
0,
0,
0
],
[
4.8877537908240285,
3.4561638502619263,
5.6... | [
[
4.885890637860791,
0,
2.8208702749999994
],
[
1.6286302126202628,
4.606461869556309,
2.8208702749999994
],
[
0,
0,
5.64174055
]
] | [
38,
38,
24,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.643521 | 0 | 0.047035 | 225 | 225 | [
"Cr",
"Mo",
"O",
"Sr"
] |
mp-570223 | mp-570223 | CsGeBr3 | # generated using pymatgen
data_CsGeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61279300
_cell_length_b 5.61279300
_cell_length_c 5.61279300
_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_CsGeBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61279300
_cell_length_b 5.61279300
_cell_length_c 5.61279300
_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
],
[
2.8063965,
2.8063965,
2.8063965000000004
],
[
2.8063965,
2.8063965,
3.436844490863335e-16
],
[
2.8063965,
0,
2.8063965
],
[
-1.7184222454316675e-16,
2.8063965,
2.8063965
]
] | [
[
5.612793,
0,
3.436844490863335e-16
],
[
-3.436844490863335e-16,
5.612793,
3.436844490863335e-16
],
[
0,
0,
5.612793
]
] | [
55,
32,
35,
35,
35
] | [
1,
1,
1
] | -1.43673 | 2.1234 | 0.012513 | 221 | 221 | [
"Cs",
"Ge",
"Br"
] |
mp-1227174 | mp-1227174 | CaNd3Mn4O12 | # generated using pymatgen
data_CaNd3Mn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.74918200
_cell_length_b 5.43699100
_cell_length_c 5.69207704
_cell_angle_alpha 89.32925465
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CaNd3Mn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43699100
_cell_length_b 7.74918200
_cell_length_c 5.69207704
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.67074535
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.744095303857038,
3.174048940799506,
3.8745910000000006
],
[
5.361273118253835,
0.3420077803187967,
3.8745910000000006
],
[
2.6098511472620696,
2.504780541186492,
7.749182
],
[
0.008883031390017853,
5.351045227487511,
7.749182
],
[
5.39341627097... | [
[
5.436991000000001,
0,
3.329196812571484e-16
],
[
-0.06663400050202772,
5.6916870029256055,
3.4853919637680706e-16
],
[
0,
0,
7.749182
]
] | [
20,
60,
60,
60,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.858485 | 0 | 0.001496 | 6 | 6 | [
"Ca",
"Mn",
"Nd",
"O"
] |
mp-606 | mp-606 | U3As4 | # generated using pymatgen
data_U3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35953757
_cell_length_b 7.35953757
_cell_length_c 7.35953757
_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_U3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.49806199
_cell_length_b 8.49806199
_cell_length_c 8.49806199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
0.4336649102627999,
2.253388973605362,
-0.6132947975679783
],
[
0.4336649102627998,
3.755648289342269,
3.066473987432021
],
[
-2.1683245513140017,
5.257907605079177,
-0.613294797160105
],
[
3.4693192821024,
4.506777947210724,
0.6132947969561686
],
[
... | [
[
6.938638564204801,
0,
-2.4531791910876635
],
[
-3.469319282102401,
6.009037262947631,
-2.4531791894561685
],
[
0,
0,
7.35953757
]
] | [
92,
92,
92,
92,
92,
92,
33,
33,
33,
33,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.764944 | 0 | 0 | 220 | 220 | [
"As",
"U"
] |
mp-1114295 | mp-1114295 | Cs2TlCuBr6 | # generated using pymatgen
data_Cs2TlCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83123164
_cell_length_b 7.83123164
_cell_length_c 7.83123164
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2TlCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.07503400
_cell_length_b 11.07503400
_cell_length_c 11.07503400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.2606818477201545,
1.5985434646282595,
3.9156158200000015
],
[
6.7820455431604705,
4.795630393884773,
11.74684746
],
[
0,
0,
0
],
[
4.521363695440313,
3.197086929256516,
7.83123164
],
[
3.450433490538319,
4.711610949383912,
5.97632611374... | [
[
6.782045543160472,
0,
3.9156158199999993
],
[
2.260681847720156,
6.394173858513029,
3.915615819999999
],
[
0,
0,
7.8312316399999995
]
] | [
55,
55,
81,
29,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.340545 | 0 | 0.014264 | 225 | 225 | [
"Br",
"Cs",
"Cu",
"Tl"
] |
mp-11519 | mp-11519 | NiSnRh2 | # generated using pymatgen
data_NiSnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38646196
_cell_length_b 4.38646196
_cell_length_c 4.38646196
_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_NiSnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20339399
_cell_length_b 6.20339399
_cell_length_c 6.20339399
_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
],
[
2.532524993396053,
1.7907655963547662,
4.386461959999999
],
[
1.2662624966980265,
0.8953827981773829,
2.1932309799999987
],
[
3.7987874900940795,
2.6861483945321485,
6.579692939999999
]
] | [
[
3.79878749009408,
0,
2.1932309800000005
],
[
1.2662624966980258,
3.5815311927095315,
2.19323098
],
[
0,
0,
4.386461959999999
]
] | [
28,
50,
45,
45
] | [
1,
1,
1
] | -0.251596 | 0 | 0.020385 | 225 | 225 | [
"Ni",
"Sn",
"Rh"
] |
mp-510209 | mp-510209 | Sc5Pb3 | # generated using pymatgen
data_Sc5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56906477
_cell_length_b 8.56906477
_cell_length_c 6.19939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000595
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sc5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56906477
_cell_length_b 8.56906477
_cell_length_c 6.19939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.89412753062086e-15,
4.947351555038664,
5.13768080544451e-7
],
[
3.099697000000001,
2.473675777519331,
4.2845326418840415
],
[
9.470637653104297e-16,
2.473675777519331,
4.2845326418840415
],
[
3.0996970000000017,
4.947351555038664,
5.13768080544451e-7
... | [
[
6.199394,
0,
3.7960340093766534e-16
],
[
2.8411912959312894e-15,
7.421027332557996,
-4.2845316143478795
],
[
0,
0,
8.56906477
]
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.468762 | 0 | 0 | 193 | 193 | [
"Pb",
"Sc"
] |
mp-10781 | mp-10781 | RbGdSe2 | # generated using pymatgen
data_RbGdSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36790286
_cell_length_b 8.36790286
_cell_length_c 8.36790309
_cell_angle_alpha 29.75465252
_cell_angle_beta 29.75465252
_cell_angle_gamma 29.75465296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbGdSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29692400
_cell_length_b 4.29692400
_cell_length_c 23.97510226
_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
],
[
3.0413907445800383,
1.8386074748249968,
5.287188489651934
],
[
1.4117710041636296,
0.8534558493091158,
3.0536150387880925
],
[
4.671010484996447,
2.823759100340878,
7.520761940515771
]
] | [
[
4.152881417886843,
0,
1.1032369446519332
],
[
1.9299000712732337,
3.6772149496499935,
1.1032369446519332
],
[
0,
0,
8.36790309
]
] | [
37,
64,
34,
34
] | [
1,
1,
1
] | -1.976241 | 0.9726 | 0 | 166 | 166 | [
"Gd",
"Rb",
"Se"
] |
mp-1223713 | mp-1223713 | InTe5Pb4 | # generated using pymatgen
data_InTe5Pb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.04671024
_cell_length_b 19.04671024
_cell_length_c 19.04671082
_cell_angle_alpha 13.83623207
_cell_angle_beta 13.83623207
_cell_angle_gamma 13.83623146
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_InTe5Pb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58838014
_cell_length_b 4.58838014
_cell_length_c 56.58475861
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
4.758912124785941,
2.7745260014154933,
17.918585514231722
],
[
3.399465765258905,
1.9819458542863728,
10.076029722171384
],
[
0.6816608752497156,
0.3974197827015036,
13.428663392637006
],
[
2.040019405731869,
1.1893657071572523,
... | [
[
4.554973612835,
0,
0.5526743121713835
],
[
2.2439579176828097,
3.9638917085727456,
0.5526743121713835
],
[
0,
0,
19.04671082
]
] | [
49,
52,
52,
52,
52,
52,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.57281 | 0 | 0.020556 | 166 | 166 | [
"In",
"Pb",
"Te"
] |
mp-13009 | mp-13009 | SmCrGe3 | # generated using pymatgen
data_SmCrGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13334065
_cell_length_b 6.13334065
_cell_length_c 5.71397200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000701
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmCrGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13334065
_cell_length_b 6.13334065
_cell_length_c 5.71397200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.285479000000001,
1.7705428125880083,
3.0666705416216384
],
[
1.4284930000000013,
3.541085625176017,
4.3324327447555616e-7
],
[
2.856986,
0,
1.7493993800544e-16
],
[
0,
0,
0
],
[
4.285479000000002,
4.289718930994167,
-1.2966643553313733
... | [
[
5.713972,
0,
3.4987987601088e-16
],
[
2.03359343771536e-15,
5.311628437764026,
-3.0666696751350884
],
[
0,
0,
6.13334065
]
] | [
62,
62,
24,
24,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.384108 | 0 | 0.04229 | 194 | 194 | [
"Cr",
"Ge",
"Sm"
] |
mp-16057 | mp-16057 | Er2Cu(GeO3)4 | # generated using pymatgen
data_Er2Cu(GeO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99252500
_cell_length_b 7.23443335
_cell_length_c 7.95850692
_cell_angle_alpha 113.55573319
_cell_angle_beta 87.00150722
_cell_angle_gamma 103.08917091
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Er2Cu(GeO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99252500
_cell_length_b 7.23443335
_cell_length_c 7.95850692
_cell_angle_alpha 113.55573319
_cell_angle_beta 87.00150722
_cell_angle_gamma 103.08917091
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
1.3736005371491107,
4.9740426795123724,
5.827062286468223
],
[
5.101253558300886,
1.488195230545029,
5.2837777211403445
],
[
0,
0,
0
],
[
3.9312761374026195,
5.384950539261282,
8.708117443844879
],
[
2.543577958047378,
1.077287370796119,
... | [
[
4.985689789719986,
0,
0.2611574167181184
],
[
1.4891643057300112,
6.462237910057401,
2.891175670890449
],
[
0,
0,
7.95850692
]
] | [
68,
68,
29,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.530019 | 0.7183 | 0.005445 | 2 | 2 | [
"Cu",
"Er",
"Ge",
"O"
] |
mp-1183867 | mp-1183867 | Ce2CdIn | # generated using pymatgen
data_Ce2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43133951
_cell_length_b 5.43133951
_cell_length_c 5.43133951
_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_Ce2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68107400
_cell_length_b 7.68107400
_cell_length_c 7.68107400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.5678926640793742,
1.1086675349431667,
2.7156697549999995
],
[
4.703677992238124,
3.3260026048295024,
8.147009265
],
[
3.1357853281587498,
2.2173350698863343,
5.43133951
],
[
0,
0,
0
]
] | [
[
4.703677992238124,
0,
2.7156697550000004
],
[
1.567892664079374,
4.43467013977267,
2.7156697550000004
],
[
0,
0,
5.431339509999999
]
] | [
58,
58,
48,
49
] | [
1,
1,
1
] | -0.217265 | 0 | 0.043177 | 225 | 225 | [
"Cd",
"Ce",
"In"
] |
mp-17364 | mp-17364 | Th(PRu)2 | # generated using pymatgen
data_Th(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16589900
_cell_length_b 7.58206800
_cell_length_c 10.52964100
_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_Th(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16589900
_cell_length_b 7.58206800
_cell_length_c 10.52964100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.0414747499999997,
2.022789593448,
7.041076169931
],
[
3.1244242499999992,
5.559278406552,
3.488564830069001
],
[
1.0414747499999994,
5.813823593447999,
8.753385330069
],
[
3.1244242499999997,
1.768244406552,
1.7762556699310004
],
[
1.04147475,
... | [
[
4.165899,
0,
2.5508774379605797e-16
],
[
-4.642677653558787e-16,
7.582068,
4.642677653558787e-16
],
[
0,
0,
10.529641
]
] | [
90,
90,
90,
90,
15,
15,
15,
15,
15,
15,
15,
15,
44,
44,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | -1.060646 | 0.1364 | 0 | 62 | 62 | [
"P",
"Ru",
"Th"
] |
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