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-1222126 | mp-1222126 | Mn3(Co2Ge3)2 | # generated using pymatgen
data_Mn3(Co2Ge3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05611704
_cell_length_b 5.05611704
_cell_length_c 7.85442100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.52463941
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Mn3(Co2Ge3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09240200
_cell_length_b 8.73640200
_cell_length_c 7.85442100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
7.844115999648
],
[
2.52805852,
1.762848575635261e-17,
5.899903315097
],
[
-1.245821680225193,
2.199774584275732,
5.899903315097
],
[
1.2822368397748072,
2.199774584275732,
5.899958296044
],
[
2.52805852,
1.762848575635261e-17,
1.96... | [
[
5.05611704,
0,
3.095978774575195e-16
],
[
-2.491643360450386,
4.399549168551464,
3.095978774575195e-16
],
[
0,
0,
7.854421
]
] | [
25,
25,
25,
27,
27,
27,
27,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.148353 | 0 | 0.039551 | 35 | 35 | [
"Co",
"Ge",
"Mn"
] |
mp-1183250 | mp-1183250 | Ag3Hg | # generated using pymatgen
data_Ag3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02244357
_cell_length_b 6.02244357
_cell_length_c 4.83920600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999527
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ag3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02244357
_cell_length_b 6.02244357
_cell_length_c 4.83920600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.6294045000000015,
4.357624921197356,
-1.5251841938421788
],
[
3.6294045,
1.715928903738995,
-1.416569172232894e-7
],
[
3.6294045000000015,
4.357624921197357,
1.5251834743628205
],
[
1.2098015000000002,
0.8579644518694967,
4.5364055482740415
],
[
... | [
[
4.839206,
0,
2.963159069157333e-16
],
[
1.9968242220179788e-15,
5.215589373066853,
-3.0112222155681376
],
[
0,
0,
6.02244357
]
] | [
47,
47,
47,
47,
47,
47,
80,
80
] | [
1,
1,
1
] | 0.027266 | 0 | 0.027266 | 194 | 194 | [
"Ag",
"Hg"
] |
mp-1225751 | mp-1225751 | Cu3Pd2 | # generated using pymatgen
data_Cu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98048300
_cell_length_b 2.98048300
_cell_length_c 14.92053000
_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_Cu3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98048300
_cell_length_b 2.98048300
_cell_length_c 14.92053000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4902415,
1.4902415,
1.3390131237900003
],
[
1.4902415,
1.4902415,
4.4516893308
],
[
1.4902415,
1.4902415,
7.460265
],
[
1.4902415,
1.4902415,
10.4688406692
],
[
1.4902415,
1.4902415,
13.58151687621
],
[
0,
0,
0
],
[
... | [
[
2.980483,
0,
1.8250194829315505e-16
],
[
-1.8250194829315505e-16,
2.980483,
1.8250194829315505e-16
],
[
0,
0,
14.92053
]
] | [
29,
29,
29,
29,
29,
29,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.106252 | 0 | 0.009577 | 123 | 123 | [
"Cu",
"Pd"
] |
mp-20748 | mp-20748 | Dy4In(NiGe2)2 | # generated using pymatgen
data_Dy4In(NiGe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04437429
_cell_length_b 8.04437429
_cell_length_c 7.05921017
_cell_angle_alpha 71.96597942
_cell_angle_beta 71.96597942
_cell_angle_gamma 30.57515182
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Dy4In(NiGe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.51944201
_cell_length_b 4.24202200
_cell_length_c 7.05921017
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.71967096
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
2.1227034618732006,
6.271347614924334,
-0.27846141677786024
],
[
1.3718639615536654,
0.4144313827274405,
5.018965762621218
],
[
2.188154421058194,
2.6140593587338725,
-0.03900901297816473
],
[
1.3064130023686717,
4.071719638917903,
4.779513358821524
],... | [
[
4.091916417583004,
0,
-1.118468013625212
],
[
-0.5973489941561381,
6.6857789976517745,
-2.1854019305314307
],
[
0,
0,
8.04437429
]
] | [
66,
66,
66,
66,
49,
28,
28,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.777295 | 0 | 0 | 12 | 12 | [
"Dy",
"Ge",
"In",
"Ni"
] |
mp-1079341 | mp-1079341 | DyZnNi | # generated using pymatgen
data_DyZnNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02110363
_cell_length_b 7.02110363
_cell_length_c 3.73140300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999652
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyZnNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02110363
_cell_length_b 7.02110363
_cell_length_c 3.73140300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8657015000000012,
3.573166819889779,
-2.0629689700061853
],
[
1.8657015000000008,
2.507287499515339,
1.4475829097326152
],
[
1.8657015,
4.537262216159367e-16,
4.125937505962239
],
[
5.651455822777383e-16,
1.4761275733047032,
-0.8522427115765242
],
... | [
[
3.731403,
0,
2.2848253701394153e-16
],
[
2.3279437082529605e-15,
6.080454319405119,
-3.5105521843113325
],
[
0,
0,
7.021103630000001
]
] | [
66,
66,
66,
30,
30,
30,
28,
28,
28
] | [
1,
1,
1
] | -0.462572 | 0 | 0 | 189 | 189 | [
"Dy",
"Ni",
"Zn"
] |
mp-975904 | mp-975904 | Li3Cd | # generated using pymatgen
data_Li3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25756379
_cell_length_b 5.25756379
_cell_length_c 5.25756379
_cell_angle_alpha 133.79377789
_cell_angle_beta 133.79377789
_cell_angle_gamma 67.41028593
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12600000
_cell_length_b 4.12600000
_cell_length_c 8.74758001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
2.6736563893097576,
0.9329301171160562,
1.0097928818932342
],
[
0.43077797057824996,
2.798790351348168,
1.0097928816511228
],
[
1.5522171799440037,
1.8658602342321124,
-1.6189890132278215
],
[
0,
0,
0
]
] | [
[
3.7950955986755117,
0,
-1.61898901298571
],
[
-0.6906612387875039,
3.731720468464224,
-1.618989013469933
],
[
0,
0,
5.25756379
]
] | [
3,
3,
3,
48
] | [
1,
1,
1
] | -0.173882 | 0 | 0.007114 | 139 | 139 | [
"Li",
"Cd"
] |
mp-23193 | mp-23193 | KCl | # generated using pymatgen
data_KCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51388119
_cell_length_b 4.51388119
_cell_length_c 4.51388119
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCl... | # generated using pymatgen
data_KCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38359200
_cell_length_b 6.38359200
_cell_length_c 6.38359200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCl... | [
[
0,
0,
0
],
[
2.6060905201364886,
1.8427842791744877,
4.51388119
]
] | [
[
3.9091357802047324,
0,
2.2569405950000005
],
[
1.3030452600682443,
3.6855685583489755,
2.2569405950000005
],
[
0,
0,
4.51388119
]
] | [
19,
17
] | [
1,
1,
1
] | -2.258234 | 5.0448 | 0 | 225 | 225 | [
"K",
"Cl"
] |
mp-567638 | mp-567638 | TaPt3 | # generated using pymatgen
data_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61204800
_cell_length_b 4.93681300
_cell_length_c 9.39611013
_cell_angle_alpha 79.40663879
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TaPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93681300
_cell_length_b 5.61204800
_cell_length_c 9.39611013
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.59336121
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8285260837278066,
1.4030119999999997,
0.8043923457611093
],
[
3.0241471178172943,
4.209035999999999,
7.684146632221042
],
[
1.0403015229276342,
1.4030119999999997,
5.6992510553978
],
[
3.812371678617467,
4.209035999999999,
2.789287922584351
],
[
... | [
[
4.852673201545102,
0,
-0.9075711520178507
],
[
-3.4363883099306525e-16,
5.612048,
3.4363883099306525e-16
],
[
0,
0,
9.39611013
]
] | [
73,
73,
73,
73,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.709583 | 0 | 0 | 11 | 11 | [
"Pt",
"Ta"
] |
mp-1017565 | mp-1017565 | In2Se3 | # generated using pymatgen
data_In2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01841930
_cell_length_b 4.01841930
_cell_length_c 9.78868800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998855
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_In2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01841930
_cell_length_b 4.01841930
_cell_length_c 9.78868800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.967411500022778e-16,
2.3200353307314905,
7.902515497968001
],
[
2.0092099977272517,
1.160017665365745,
1.886172502032002
],
[
0,
0,
0
],
[
-2.967411500022778e-16,
2.3200353307314905,
3.2283778232160003
],
[
2.0092099977272517,
1.1600176653... | [
[
4.0184199954545035,
0,
1.1383257395666953e-15
],
[
-2.009209997727252,
3.480052996097235,
2.460572166688474e-16
],
[
0,
0,
9.788688
]
] | [
49,
49,
34,
34,
34
] | [
1,
1,
1
] | -0.750627 | 0.1525 | 0.051211 | 164 | 164 | [
"In",
"Se"
] |
mp-7210 | mp-7210 | Cd2B2O5 | # generated using pymatgen
data_Cd2B2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52274700
_cell_length_b 6.46814862
_cell_length_c 10.07804132
_cell_angle_alpha 105.80392648
_cell_angle_beta 91.32190581
_cell_angle_gamma 91.26788963
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cd2B2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52274700
_cell_length_b 6.46814862
_cell_length_c 10.07804132
_cell_angle_alpha 105.80392648
_cell_angle_beta 91.32190581
_cell_angle_gamma 91.26788963
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.6089033935835575,
1.3756287803722949,
8.367560107972023
],
[
0.7290973739924302,
4.845304613132378,
-0.13236263325123573
],
[
2.602298013331688,
4.058997294993569,
2.886721186676093
],
[
0.7357027542442995,
2.1619360985111054,
5.348476288044695
],
... | [
[
3.5218094640034616,
0,
-0.08126823035263614
],
[
-0.18380869642747402,
6.220933393504674,
-1.761575614926576
],
[
0,
0,
10.07804132
]
] | [
48,
48,
48,
48,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.241528 | 2.8197 | 0 | 2 | 2 | [
"B",
"Cd",
"O"
] |
mp-861915 | mp-861915 | LiDy2Ir | # generated using pymatgen
data_LiDy2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92087913
_cell_length_b 4.92087913
_cell_length_c 4.92087913
_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_LiDy2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95917400
_cell_length_b 6.95917400
_cell_length_c 6.95917400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.4205354451775556,
1.0044702462009005,
2.460439565
],
[
4.261606335532668,
3.0134107386027025,
7.381318695
],
[
2.841070890355112,
2.008940492401801,
4.920879129999999
]
] | [
[
4.261606335532668,
0,
2.4604395649999997
],
[
1.4205354451775551,
4.017880984803604,
2.4604395649999997
],
[
0,
0,
4.92087913
]
] | [
3,
66,
66,
77
] | [
1,
1,
1
] | -0.579468 | 0 | 0 | 225 | 225 | [
"Dy",
"Ir",
"Li"
] |
mp-983608 | mp-983608 | UGePt | # generated using pymatgen
data_UGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44844900
_cell_length_b 6.90124000
_cell_length_c 7.62878700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | # generated using pymatgen
data_UGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44844900
_cell_length_b 6.90124000
_cell_length_c 7.62878700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | [
[
3.3363367499999996,
6.85173740548,
1.5393976711560007
],
[
3.33633675,
3.40111740548,
2.274995828844
],
[
1.1121122499999998,
3.5001225945199996,
5.353791171156
],
[
1.11211225,
0.04950259452,
6.089389328844001
],
[
1.1121122499999998,
4.8053... | [
[
4.448449,
0,
2.7238894145101223e-16
],
[
-4.22579073807384e-16,
6.90124,
4.22579073807384e-16
],
[
0,
0,
7.628787
]
] | [
92,
92,
92,
92,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.62738 | 0 | 0 | 62 | 62 | [
"Ge",
"Pt",
"U"
] |
mp-1078628 | mp-1078628 | Na2HgPb | # generated using pymatgen
data_Na2HgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25332206
_cell_length_b 6.25332206
_cell_length_c 6.16930800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 103.05065002
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2HgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78124200
_cell_length_b 9.79124201
_cell_length_c 6.16930800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.626981,
0.8021260964251711,
2.9986531170339825
],
[
1.5423269999999998,
2.9894735760664606,
4.736969877664305
],
[
1.5423269999999998,
5.289677814970262,
1.8425917881370253
],
[
4.626981,
3.1023303353289733,
0.10427502750670332
],
[
3.084654,
... | [
[
6.169308,
0,
3.7776116475770797e-16
],
[
-3.7301540805618725e-16,
6.091803911395434,
-1.4120771548289919
],
[
0,
0,
6.25332206
]
] | [
11,
11,
11,
11,
80,
80,
82,
82
] | [
1,
1,
1
] | -0.175917 | 0 | 0.036127 | 63 | 63 | [
"Hg",
"Na",
"Pb"
] |
mp-757186 | mp-757186 | MnF3 | # generated using pymatgen
data_MnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99974600
_cell_length_b 4.99974600
_cell_length_c 8.77617700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | # generated using pymatgen
data_MnF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99974600
_cell_length_b 4.99974600
_cell_length_c 8.77617700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | [
[
0,
0,
7.2521587592420005
],
[
2.499873,
2.499873,
5.912106740758
],
[
2.499873,
2.499873,
2.8640702592420006
],
[
0,
0,
1.524018240758
],
[
4.133744995086,
4.133744995086,
5.062377576723461e-16
],
[
3.496452371196,
1.503293628... | [
[
4.999746,
0,
3.061461467724891e-16
],
[
-3.061461467724891e-16,
4.999746,
3.061461467724891e-16
],
[
0,
0,
8.776177
]
] | [
25,
25,
25,
25,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.724076 | 1.0906 | 0.042529 | 136 | 136 | [
"F",
"Mn"
] |
mp-570172 | mp-570172 | HgIBr | # generated using pymatgen
data_HgIBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53884086
_cell_length_b 4.53884086
_cell_length_c 13.65551000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.44682183
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HgIBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24258000
_cell_length_b 7.41078001
_cell_length_c 13.65551000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.45640987055760274,
3.53377128676029,
6.790202347499999
],
[
3.484126192251747,
0.7461327988630613,
13.617957347499999
],
[
-0.9344176366777481,
3.8719265085653904,
11.885769559509999
],
[
3.962133958371892,
0.40797757705796034,
5.05801455951
],
[
... | [
[
4.53884086,
0,
2.7792384655191096e-16
],
[
-1.5111245383058556,
4.279904085623351,
2.7792384655191096e-16
],
[
0,
0,
13.65551
]
] | [
80,
80,
53,
53,
35,
35
] | [
1,
1,
1
] | -0.688199 | 2.619 | 0.010481 | 36 | 36 | [
"Hg",
"I",
"Br"
] |
mp-1224165 | mp-1224165 | Hf2Ga3Co | # generated using pymatgen
data_Hf2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18673500
_cell_length_b 5.31689101
_cell_length_c 5.26693212
_cell_angle_alpha 92.62762733
_cell_angle_beta 113.41915651
_cell_angle_gamma 66.81382451
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Hf2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66610336
_cell_length_b 4.18673500
_cell_length_c 6.40693404
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.86560505
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.1032043865864725,
3.7752958299716206,
3.388639450838378
],
[
2.436213619042683,
0.9950464907967985,
4.945887145431202
],
[
1.1975783973843832,
1.796745077195374,
2.520869597680568
],
[
1.9932329084359466,
3.7411722294580616,
5.98011758964348
],
[
... | [
[
3.8485739383172786,
0,
1.648401832542669
],
[
1.674691190865798,
4.791294652282851,
1.4069410447814903
],
[
0,
0,
5.31689101
]
] | [
72,
72,
31,
31,
31,
27
] | [
1,
1,
1
] | -0.453395 | 0 | 0.062144 | 8 | 8 | [
"Co",
"Ga",
"Hf"
] |
mp-1225750 | mp-1225750 | Er2Si3 | # generated using pymatgen
data_Er2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87834200
_cell_length_b 3.95838800
_cell_length_c 6.73317000
_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_Er2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87834200
_cell_length_b 3.95838800
_cell_length_c 6.73317000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2119067984958232e-16,
1.979194,
0.01874514528000012
],
[
1.9391709999999998,
1.979194,
3.3378208977600003
],
[
1.939171,
0,
5.4534637098
],
[
1.939171,
0,
1.0469271369600002
],
[
0,
0,
2.4512778702
]
] | [
[
3.878342,
0,
2.374799558149372e-16
],
[
-2.4238135969916465e-16,
3.958388,
2.4238135969916465e-16
],
[
0,
0,
6.73317
]
] | [
68,
68,
14,
14,
14
] | [
1,
1,
1
] | -0.559338 | 0 | 0.071862 | 25 | 25 | [
"Er",
"Si"
] |
mp-1186750 | mp-1186750 | PrInPd2 | # generated using pymatgen
data_PrInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93030062
_cell_length_b 4.93030062
_cell_length_c 4.93030062
_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_PrInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97249800
_cell_length_b 6.97249800
_cell_length_c 6.97249800
_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
],
[
2.846510390142778,
2.0127867995879223,
4.930300619999998
],
[
4.269765585214167,
3.0191801993818843,
7.395450929999999
],
[
1.423255195071389,
1.0063933997939611,
2.4651503099999994
]
] | [
[
4.269765585214167,
0,
2.4651503100000003
],
[
1.423255195071389,
4.025573599175846,
2.46515031
],
[
0,
0,
4.930300619999999
]
] | [
59,
49,
46,
46
] | [
1,
1,
1
] | -0.704424 | 0 | 0.019506 | 225 | 225 | [
"In",
"Pd",
"Pr"
] |
mp-1209759 | mp-1209759 | Pr3Sb4Pt7 | # generated using pymatgen
data_Pr3Sb4Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47560600
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.99775300
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr3Sb4Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.70056915
_cell_length_b 4.47560600
_cell_length_c 9.97919108
_cell_angle_alpha 90.00000000
_cell_angle_beta 126.48099992
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
4.642117977582212,
5.42609370303365,
8.63736278410149
],
[
1.2226016615077377,
2.5692937822256066,
4.095312165026806
],
[
2.1620413080343974,
0,
0.5773557388317122
],
[
3.6148849476433567,
4.817037065956542,
3.8104652077856755
],
[
2.249834691446... | [
[
4.324082616068795,
0,
1.1547114776634244
],
[
1.5406370230211548,
7.995387485259257,
2.9043469614648734
],
[
0,
0,
8.67361651
]
] | [
59,
59,
59,
51,
51,
51,
51,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.84033 | 0 | 0.057956 | 12 | 12 | [
"Pr",
"Pt",
"Sb"
] |
mp-1078517 | mp-1078517 | RbFeS2 | # generated using pymatgen
data_RbFeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25900084
_cell_length_b 7.25900084
_cell_length_c 7.25900084
_cell_angle_alpha 136.64502082
_cell_angle_beta 123.30572076
_cell_angle_gamma 73.96523279
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_RbFeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36268400
_cell_length_b 6.89332800
_cell_length_c 11.59724200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4848108244872846,
3.9984547884355486,
-1.0077991381053981
],
[
1.1976015014736758,
1.9271307944310365,
3.0128847115548623
],
[
1.2262858504491654,
1.6537954772493718e-17,
-0.4874404154001559
],
[
3.757137159995562,
1.9017509794861061e-16,
-1.4934368665... | [
[
4.983423010444727,
0,
-1.9808772819454228
],
[
-1.3010106844837674,
5.925585582866585,
-3.2730379846051147
],
[
0,
0,
7.25900084
]
] | [
37,
37,
26,
26,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.006068 | 0 | 0.002763 | 71 | 71 | [
"Fe",
"Rb",
"S"
] |
mp-5369 | mp-5369 | PrB2Rh3 | # generated using pymatgen
data_PrB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53901328
_cell_length_b 5.53901328
_cell_length_c 3.11835200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999135
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53901328
_cell_length_b 5.53901328
_cell_length_c 3.11835200
_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
],
[
3.118352000000001,
3.197951086996297,
-4.827977897129049e-7
],
[
3.1183520000000002,
1.598975543498148,
2.769506398601106
],
[
1.5591760000000008,
2.398463315247222,
1.384752957901659
],
[
1.5591760000000008,
2.3984633152472226,
... | [
[
3.118352,
0,
1.9094398977073735e-16
],
[
1.8365363148560155e-15,
4.796926630494445,
-2.769507364196684
],
[
0,
0,
5.53901328
]
] | [
59,
5,
5,
45,
45,
45
] | [
1,
1,
1
] | -0.636232 | 0 | 0 | 191 | 191 | [
"B",
"Pr",
"Rh"
] |
mp-11490 | mp-11490 | Li2ZnSn | # generated using pymatgen
data_Li2ZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60071108
_cell_length_b 4.60071108
_cell_length_c 4.60071108
_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_Li2ZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50638801
_cell_length_b 6.50638801
_cell_length_c 6.50638801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3281108902508467,
0.9391162166640764,
2.30035554
],
[
3.9843326707525404,
2.8173486499922293,
6.901066619999999
],
[
2.656221780501694,
1.8782324333281533,
4.60071108
],
[
0,
0,
0
]
] | [
[
3.9843326707525413,
0,
2.3003555399999995
],
[
1.3281108902508458,
3.7564648666563056,
2.30035554
],
[
0,
0,
4.600711079999999
]
] | [
3,
3,
30,
50
] | [
1,
1,
1
] | -0.27379 | 0 | 0.043808 | 225 | 225 | [
"Li",
"Zn",
"Sn"
] |
mp-1185818 | mp-1185818 | Mg5Pb | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61339777
_cell_length_b 5.61339777
_cell_length_c 5.33839700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999725
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61339777
_cell_length_b 5.61339777
_cell_length_c 5.33839700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.492358564915398e-32,
1.0452893229725044e-16,
3.6933013823848797
],
[
2.669198500000001,
3.2408968033858576,
-1.555518799991865e-7
],
[
5.3383970000000005,
1.6628522954684288,
0.9600481139963799
],
[
2.6691985000000003,
1.6204484016929284,
2.80669880722... | [
[
5.338397,
0,
3.268825399313916e-16
],
[
1.8611994086843252e-15,
4.861345205078786,
-2.8066991183278196
],
[
0,
0,
5.61339777
]
] | [
12,
12,
12,
12,
12,
82
] | [
1,
1,
1
] | -0.005434 | 0 | 0.03696 | 189 | 189 | [
"Mg",
"Pb"
] |
mp-2314 | mp-2314 | LiPb | # generated using pymatgen
data_LiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56785100
_cell_length_b 3.56785100
_cell_length_c 3.56785100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | # generated using pymatgen
data_LiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56785100
_cell_length_b 3.56785100
_cell_length_c 3.56785100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li... | [
[
0,
0,
0
],
[
1.7839255,
1.7839255,
1.7839255000000003
]
] | [
[
3.567851,
0,
2.1846786534923416e-16
],
[
-2.1846786534923416e-16,
3.567851,
2.1846786534923416e-16
],
[
0,
0,
3.567851
]
] | [
3,
82
] | [
1,
1,
1
] | -0.271879 | 0 | 0 | 221 | 221 | [
"Li",
"Pb"
] |
mp-561326 | mp-561326 | LuSeO3F | # generated using pymatgen
data_LuSeO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29284800
_cell_length_b 6.50545782
_cell_length_c 6.90008665
_cell_angle_alpha 91.83469038
_cell_angle_beta 93.79079887
_cell_angle_gamma 96.63505084
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuSeO3F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29284800
_cell_length_b 6.50545782
_cell_length_c 6.90008665
_cell_angle_alpha 91.83469038
_cell_angle_beta 93.79079887
_cell_angle_gamma 96.63505084
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.68945369922136,
2.3788269765669754,
1.4801445598545433
],
[
1.826881553326269,
4.077884872909245,
4.9278479956088175
],
[
2.2551264364880144,
5.543351847961164,
1.5067700171754674
],
[
1.2612088160596149,
0.9133600015150567,
4.901222538287894
],
[
... | [
[
4.283455670787607,
0,
-0.2838159042433948
],
[
-0.7671204182399779,
6.45671184947622,
-0.20827819029324457
],
[
0,
0,
6.90008665
]
] | [
71,
71,
34,
34,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -2.860928 | 4.0104 | 0.001602 | 2 | 2 | [
"F",
"Lu",
"O",
"Se"
] |
mp-753774 | mp-753774 | KTmO2 | # generated using pymatgen
data_KTmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54420090
_cell_length_b 6.54420090
_cell_length_c 6.54420119
_cell_angle_alpha 30.32798193
_cell_angle_beta 30.32798193
_cell_angle_gamma 30.32797599
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | # generated using pymatgen
data_KTmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42369837
_cell_length_b 3.42369837
_cell_length_c 18.71560755
_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
],
[
2.417687364134574,
1.4642436760311108,
4.1676810078499456
],
[
1.1010776854983526,
0.6668546404001449,
2.481472738367189
],
[
3.734297042770796,
2.2616327116620774,
5.853889277332703
]
] | [
[
3.3044891792090234,
0,
0.8955804128499458
],
[
1.5308855490601256,
2.928487352062222,
0.8955804128499458
],
[
0,
0,
6.54420119
]
] | [
19,
69,
8,
8
] | [
1,
1,
1
] | -3.165447 | 3.9715 | 0 | 166 | 166 | [
"K",
"Tm",
"O"
] |
mp-1183158 | mp-1183158 | AlGaIr2 | # generated using pymatgen
data_AlGaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29580805
_cell_length_b 4.29580805
_cell_length_c 4.29580805
_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_AlGaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07519001
_cell_length_b 6.07519001
_cell_length_c 6.07519001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.480185934054461,
1.7537562925734,
4.29580805
],
[
0,
0,
0
],
[
3.7202789010816915,
2.630634438860101,
6.443712075
],
[
1.24009296702723,
0.8768781462866987,
2.1479040249999994
]
] | [
[
3.7202789010816915,
0,
2.1479040250000003
],
[
1.2400929670272305,
3.507512585146801,
2.147904025
],
[
0,
0,
4.295808049999999
]
] | [
13,
31,
77,
77
] | [
1,
1,
1
] | -0.663121 | 0 | 0.015854 | 225 | 225 | [
"Al",
"Ga",
"Ir"
] |
mp-9398 | mp-9398 | V4SiSb2 | # generated using pymatgen
data_V4SiSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36103562
_cell_length_b 7.36103562
_cell_length_c 7.36103562
_cell_angle_alpha 95.83168184
_cell_angle_beta 95.83168184
_cell_angle_gamma 142.82438791
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V4SiSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.86704800
_cell_length_b 9.86704800
_cell_length_c 4.69277200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9555920021058029,
4.952028681937599,
1.5460179795222717
],
[
2.8694827692258933,
6.1350444369360915,
6.18956910989741
],
[
2.8694827681531567,
0.8420121159749648,
6.1895691095366505
],
[
3.802486504077355,
6.1350444369360915,
3.4152515763577083
],
... | [
[
4.447979513877648,
0,
1.4958567102792117
],
[
2.223989758352863,
6.977056552911056,
0.7479283556151461
],
[
0,
0,
7.36103562
]
] | [
23,
23,
23,
23,
23,
23,
23,
23,
14,
14,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.347372 | 0 | 0.005031 | 140 | 140 | [
"Sb",
"Si",
"V"
] |
mp-1025377 | mp-1025377 | Cd(AgI2)2 | # generated using pymatgen
data_Cd(AgI2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97838953
_cell_length_b 7.97838953
_cell_length_c 7.97838953
_cell_angle_alpha 131.29096965
_cell_angle_beta 131.29096965
_cell_angle_gamma 71.35119519
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Cd(AgI2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58027800
_cell_length_b 6.58027800
_cell_length_c 12.96220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
4.188945890501727,
1.4668781186226632,
1.2756108756802575
],
[
0.5774221637651558,
4.40063435586799,
1.2756108758290714
],
[
4.102007843022895,
5.049669248233773,
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],
[
1.8011008612422073,
2.2171980113231036,
... | [
[
5.994707753870013,
0,
-2.7135838893941497
],
[
-1.2283396996031295,
5.8675124744906535,
-2.7135838890965216
],
[
0,
0,
7.97838953
]
] | [
48,
47,
47,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.641078 | 2.005 | 0 | 121 | 121 | [
"Cd",
"Ag",
"I"
] |
mp-1205768 | mp-1205768 | ZrPt8 | # generated using pymatgen
data_ZrPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33792647
_cell_length_b 6.33792647
_cell_length_c 6.33792647
_cell_angle_alpha 95.79109607
_cell_angle_beta 95.79109607
_cell_angle_gamma 142.95823596
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZrPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.49896000
_cell_length_b 8.49896000
_cell_length_c 4.02648800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | [
[
0,
0,
0
],
[
3.182824648011111,
1.9994419956628453,
3.1749017559976607
],
[
2.544097232136223,
4.010230252530279,
5.0815471616359265
],
[
0.635123272088901,
1.9994419956628453,
4.442039679091996
],
[
1.2738506870125856,
4.010230252530279,
... | [
[
3.817947921045848,
0,
1.2790149654065126
],
[
1.908973959101486,
6.009672248193125,
0.6395074822270741
],
[
0,
0,
6.33792647
]
] | [
40,
78,
78,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.482468 | 0 | 0 | 139 | 139 | [
"Pt",
"Zr"
] |
mp-1212789 | mp-1212789 | EuZrF7 | # generated using pymatgen
data_EuZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81150700
_cell_length_b 6.23458702
_cell_length_c 8.44408153
_cell_angle_alpha 101.40534368
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23458702
_cell_length_b 5.81150700
_cell_length_c 8.44408153
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.40534368
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.0618540220309995,
4.009546656649095,
4.976893977395647
],
[
1.1561005220309997,
2.1019243268131556,
2.2343056733266042
],
[
4.117667735258999,
4.965142371094236,
0.8811044131548281
],
[
1.211914235259,
1.1463286123680143,
6.330095237567423
],
[
... | [
[
5.811507,
0,
3.5585217228862187e-16
],
[
-3.7421966889894863e-16,
6.111470983462251,
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],
[
0,
0,
8.44408153
]
] | [
63,
63,
40,
40,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.937023 | 0.1392 | 0 | 4 | 4 | [
"Eu",
"F",
"Zr"
] |
mp-1102559 | mp-1102559 | NbSe2 | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48038404
_cell_length_b 3.48038404
_cell_length_c 25.87265600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000068
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48038404
_cell_length_b 3.48038404
_cell_length_c 25.87265600
_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,
12.936328
],
[
0,
0,
0
],
[
0,
0,
19.404491999999998
],
[
0,
0,
6.4681640000000025
],
[
1.7401920021139645,
1.0047003346308077,
14.622966444640003
],
[
-4.988744234094169e-16,
2.0094006692616158,
11.249689555360002
... | [
[
3.480384004227928,
0,
9.859125477352579e-16
],
[
-1.7401920021139643,
3.014101003892423,
2.1311205871947665e-16
],
[
0,
0,
25.872656
]
] | [
41,
41,
41,
41,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.139368 | 0 | 0.016637 | 194 | 194 | [
"Nb",
"Se"
] |
mp-763577 | mp-763577 | Li3Ti2V2O8 | # generated using pymatgen
data_Li3Ti2V2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98999007
_cell_length_b 5.98999007
_cell_length_c 6.03156448
_cell_angle_alpha 59.81351368
_cell_angle_beta 59.81351368
_cell_angle_gamma 59.78829089
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li3Ti2V2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.39511538
_cell_length_b 5.97081200
_cell_length_c 6.03156448
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.51982587
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.5887535168237568,
0,
4.483912010528276
],
[
0,
0,
2.996967423212934
],
[
0,
0,
0
],
[
0.8726819699839973,
2.454588986985062,
1.477638096392736
],
[
3.461435486807754,
2.454588986985062,
8.958517530133946
],
[
3.461435486807754,
... | [
[
5.1775070336475135,
0,
2.973889174630684
],
[
1.7453639399679945,
4.909177973970124,
2.955276192785472
],
[
0,
0,
5.993934846425868
]
] | [
3,
3,
3,
22,
22,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.794133 | 0 | 0.063727 | 12 | 12 | [
"Li",
"O",
"Ti",
"V"
] |
mp-1188761 | mp-1188761 | Sc4Ge6Os7 | # generated using pymatgen
data_Sc4Ge6Os7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08510625
_cell_length_b 7.08510625
_cell_length_c 7.08510625
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Sc4Ge6Os7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18117600
_cell_length_b 8.18117600
_cell_length_c 8.18117600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.669975558591328,
2.892482514237179,
1.1808510414048903
],
[
5.009926675773984,
2.892482514237179,
3.5425531242146704
],
[
3.339951117182656,
5.784965028474358,
-1.1808510421902194
],
[
-4.440892098500626e-16,
5.784965028474358,
3.5425531249999995
],
... | [
[
6.679902234365313,
0,
-2.361702084380439
],
[
-3.339951117182657,
5.784965028474358,
-2.361702082809781
],
[
0,
0,
7.08510625
]
] | [
21,
21,
21,
21,
32,
32,
32,
32,
32,
32,
76,
76,
76,
76,
76,
76,
76
] | [
1,
1,
1
] | -0.436963 | 0 | 0.032086 | 229 | 229 | [
"Ge",
"Os",
"Sc"
] |
mp-1719 | mp-1719 | PuN | # generated using pymatgen
data_PuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49409026
_cell_length_b 3.49408959
_cell_length_c 3.49409000
_cell_angle_alpha 59.99999611
_cell_angle_beta 60.00000243
_cell_angle_gamma 59.99999530
_symmetry_Int_Tables_number 1
_chemical_formula_structural PuN... | # generated using pymatgen
data_PuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94138932
_cell_length_b 4.94138932
_cell_length_c 4.94138932
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PuN... | [
[
0,
0,
0
],
[
2.0173138104024755,
1.4264562703767831,
3.4940890073886393
]
] | [
[
3.025970709812656,
0,
1.7470441683890716
],
[
1.0086569109922954,
2.8529125407535663,
1.747044169609969
],
[
0,
0,
3.4940896767782377
]
] | [
94,
7
] | [
1,
1,
1
] | -1.466117 | 0 | 0 | 225 | 225 | [
"Pu",
"N"
] |
mp-753710 | mp-753710 | Li5Fe(SiO4)2 | # generated using pymatgen
data_Li5Fe(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24650040
_cell_length_b 5.24650040
_cell_length_c 6.29728957
_cell_angle_alpha 89.77062648
_cell_angle_beta 89.77062648
_cell_angle_gamma 90.91979451
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li5Fe(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35987800
_cell_length_b 7.47898800
_cell_length_c 6.29728957
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.32701944
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.136520891743592,
4.341618153876207,
1.6887660522195918
],
[
1.6730714058609526,
3.516420088374534,
3.1696481653577813
],
[
3.5482848818914476,
1.6711012284531417,
3.1696481653577813
],
[
3.6319725442415005,
1.588747713159412,
0.021003380357781338
],
... | [
[
5.2464583582845385,
0,
0.021003380357781334
],
[
-0.08430553432344251,
5.245780960171339,
0.021003380357781334
],
[
0,
0,
6.29728957
]
] | [
3,
3,
3,
3,
3,
26,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.634155 | 2.4664 | 0.014252 | 5 | 5 | [
"Fe",
"Li",
"O",
"Si"
] |
mp-5575 | mp-5575 | GdTaO4 | # generated using pymatgen
data_GdTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63576257
_cell_length_b 6.63576257
_cell_length_c 5.12911077
_cell_angle_alpha 69.71555714
_cell_angle_beta 69.71555714
_cell_angle_gamma 115.25049859
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10630000
_cell_length_b 11.20865201
_cell_length_c 5.12911077
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.34973823
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.4910498585394674,
1.7955238536480498,
3.0410811078250712
],
[
1.00776481460811,
3.080847592047328,
-0.21042000271429165
],
[
-0.46027939260701545,
4.387412804464056,
3.2150771982751283
],
[
3.959094065754592,
0.48895864123132116,
-0.3844160931643486
... | [
[
4.811019226217882,
0,
-1.7781651486551748
],
[
-1.3122045530703053,
4.876371445695377,
-2.0269363162340452
],
[
0,
0,
6.635762570000001
]
] | [
64,
64,
73,
73,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.688746 | 0.2698 | 0.005782 | 15 | 15 | [
"Gd",
"O",
"Ta"
] |
mp-8837 | mp-8837 | Ba3Er2Cu2PtO10 | # generated using pymatgen
data_Ba3Er2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92003685
_cell_length_b 6.92003685
_cell_length_c 7.49914075
_cell_angle_alpha 75.75347272
_cell_angle_beta 75.75347272
_cell_angle_gamma 50.08144949
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ba3Er2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.53920599
_cell_length_b 5.85798200
_cell_length_c 7.49914075
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.76100971
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
0,
0,
0
],
[
2.928990998211327,
4.175001987435072,
2.2332981486370946
],
[
1.1556665294831686e-15,
1.8588831208497316,
3.562859266807397
],
[
2.928990998211327,
2.2836927680134167,
5.9127744375708495
],
[
4.0915726612604473e-16,
3.75019234027... | [
[
5.857981996422654,
0,
3.5869794506909126e-16
],
[
-2.9289909982113276,
6.033885108284806,
-1.7029833345555092
],
[
0,
0,
7.49914075
]
] | [
56,
56,
56,
68,
68,
29,
29,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.52 | 0.3048 | 0.028673 | 12 | 12 | [
"Ba",
"Cu",
"Er",
"O",
"Pt"
] |
mp-9177 | mp-9177 | Y2Al3Si2 | # generated using pymatgen
data_Y2Al3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49538474
_cell_length_b 5.49538474
_cell_length_c 6.64007393
_cell_angle_alpha 79.70261040
_cell_angle_beta 79.70261040
_cell_angle_gamma 43.12570695
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y2Al3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.22158000
_cell_length_b 4.03934600
_cell_length_c 6.64007393
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.08173612
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-4.61060995053149e-16,
3.8108727451150237,
3.7526729963590033
],
[
2.0196729997176703,
1.204621378644582,
1.9050603056665862
],
[
2.0196729997176703,
1.9501846111296957,
5.372369077198963
],
[
0,
0,
0
],
[
-5.478140875015988e-16,
3.0653095126... | [
[
4.039345999435341,
0,
2.473386074428578e-16
],
[
-2.019672999717672,
5.0154941237596065,
-0.9823406279744109
],
[
0,
0,
6.64007393
]
] | [
39,
39,
13,
13,
13,
14,
14
] | [
1,
1,
1
] | -0.533446 | 0 | 0 | 12 | 12 | [
"Y",
"Al",
"Si"
] |
mp-31451 | mp-31451 | ZrCoBi | # generated using pymatgen
data_ZrCoBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41013166
_cell_length_b 4.41013166
_cell_length_c 4.41013166
_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_ZrCoBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23686801
_cell_length_b 6.23686801
_cell_length_c 6.23686801
_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
],
[
3.819286051594036,
2.700643066373336,
6.615197490000001
],
[
2.5461907010626916,
1.8004287109155568,
4.41013166
]
] | [
[
3.8192860515940366,
0,
2.2050658300000006
],
[
1.2730953505313443,
3.600857421831116,
2.205065830000001
],
[
0,
0,
4.410131659999999
]
] | [
40,
27,
83
] | [
1,
1,
1
] | -0.420981 | 1.0123 | 0 | 216 | 216 | [
"Zr",
"Co",
"Bi"
] |
mp-1519341 | mp-1519341 | KEuYWO6 | # generated using pymatgen
data_KEuYWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92522161
_cell_length_b 5.92522161
_cell_length_c 5.92522161
_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_KEuYWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.37952876
_cell_length_b 8.37952876
_cell_length_c 8.37952876
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.710464145770848,
1.2094807964510181,
2.9626108050000015
],
[
5.131392437312532,
3.628442389353057,
8.887832415
],
[
3.4209282915416885,
2.4189615929020376,
5.92522161
],
[
0,
0,
0
],
[
2.50727962612711,
3.7110559267754115,
4.34273570123... | [
[
5.131392437312532,
0,
2.9626108049999997
],
[
1.710464145770843,
4.837923185804077,
2.9626108049999997
],
[
0,
0,
5.92522161
]
] | [
19,
63,
39,
74,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.909918 | 0.3611 | 0.006124 | 216 | 216 | [
"Eu",
"K",
"O",
"W",
"Y"
] |
mp-31339 | mp-31339 | ScInPd2 | # generated using pymatgen
data_ScInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66155761
_cell_length_b 4.66155761
_cell_length_c 4.66155761
_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_ScInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59243799
_cell_length_b 6.59243799
_cell_length_c 6.59243799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.691351540976449,
1.9030729251813103,
4.661557609999998
],
[
0,
0,
0
],
[
4.037027311464674,
2.854609387771966,
6.992336415
],
[
1.3456757704882247,
0.9515364625906558,
2.330778805
]
] | [
[
4.037027311464673,
0,
2.3307788049999996
],
[
1.3456757704882254,
3.8061458503626215,
2.3307788049999996
],
[
0,
0,
4.66155761
]
] | [
21,
49,
46,
46
] | [
1,
1,
1
] | -0.833371 | 0 | 0 | 225 | 225 | [
"Sc",
"In",
"Pd"
] |
mp-24208 | mp-24208 | CrH2 | # generated using pymatgen
data_CrH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90354732
_cell_length_b 2.90354732
_cell_length_c 2.90354732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | # generated using pymatgen
data_CrH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10623600
_cell_length_b 4.10623600
_cell_length_c 4.10623600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | [
[
0,
0,
0
],
[
2.5145457402102247,
1.778052344506396,
4.355320979999999
],
[
0.8381819134034081,
0.5926841148354651,
1.4517736599999997
]
] | [
[
2.5145457402102247,
0,
1.4517736599999997
],
[
0.8381819134034082,
2.3707364593418614,
1.45177366
],
[
0,
0,
2.90354732
]
] | [
24,
1,
1
] | [
1,
1,
1
] | -0.047715 | 0 | 0 | 225 | 225 | [
"Cr",
"H"
] |
mp-1222712 | mp-1222712 | LaV2BiO8 | # generated using pymatgen
data_LaV2BiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21416376
_cell_length_b 6.21416376
_cell_length_c 6.21416376
_cell_angle_alpha 106.21122044
_cell_angle_beta 106.21122044
_cell_angle_gamma 116.20867396
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_LaV2BiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46124600
_cell_length_b 7.46124600
_cell_length_c 6.56680600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.6346952346814776,
1.2323730013956462,
1.3722168702799733
],
[
-1.0300794771009953,
3.6971190041869395,
1.372216870650599
],
[
1.3023078787902416,
2.464746002791293,
-1.734865009534714
],
[
0,
0,
0
],
[
-2.076420661740294,
3.7593538407574196... | [
[
5.967082590572714,
0,
-1.7348650099053395
],
[
-3.36246683299223,
4.929492005582586,
-1.73486500916409
],
[
0,
0,
6.214163760000001
]
] | [
57,
23,
23,
83,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.682179 | 3.2923 | 0.005623 | 119 | 119 | [
"Bi",
"La",
"O",
"V"
] |
mp-1225835 | mp-1225835 | Cu2S | # generated using pymatgen
data_Cu2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96226849
_cell_length_b 3.96226849
_cell_length_c 7.29713560
_cell_angle_alpha 88.50600315
_cell_angle_beta 88.50600315
_cell_angle_gamma 118.65448417
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Cu2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04257600
_cell_length_b 6.81585399
_cell_length_c 7.29713560
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.92958039
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | [
[
3.0092449081361328,
1.7368179098008532,
3.493610159730417
],
[
1.9804607825264515,
0,
7.245483053243472
],
[
3.877050705735069,
0.049679939491943347,
1.7209788064869447
],
[
-1.8194824545157067,
3.4239558801097627,
5.369546606486945
],
[
1.812415... | [
[
3.960921565052903,
0,
-0.10330509351305522
],
[
-1.9033533138335408,
3.4736358196017063,
-0.10330509351305522
],
[
0,
0,
7.2971356
]
] | [
29,
29,
29,
29,
16,
16
] | [
1,
1,
1
] | -0.261222 | 0.0353 | 0.043983 | 15 | 15 | [
"Cu",
"S"
] |
mp-1007755 | mp-1007755 | HfAu | # generated using pymatgen
data_HfAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50760700
_cell_length_b 3.50760700
_cell_length_c 6.38955000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | # generated using pymatgen
data_HfAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50760700
_cell_length_b 3.50760700
_cell_length_c 6.38955000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | [
[
-1.0738949213042125e-16,
1.7538035,
5.45339786085
],
[
1.7538035,
0,
0.9361521391500001
],
[
-1.0738949213042125e-16,
1.7538035,
2.36761580475
],
[
1.7538035,
0,
4.02193419525
]
] | [
[
3.507607,
0,
2.147789842608425e-16
],
[
-2.147789842608425e-16,
3.507607,
2.147789842608425e-16
],
[
0,
0,
6.38955
]
] | [
72,
72,
79,
79
] | [
1,
1,
1
] | -0.542472 | 0 | 0 | 129 | 129 | [
"Au",
"Hf"
] |
mp-1187587 | mp-1187587 | Tm2ZnAu | # generated using pymatgen
data_Tm2ZnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00655218
_cell_length_b 5.00655218
_cell_length_c 5.00655218
_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_Tm2ZnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08033399
_cell_length_b 7.08033399
_cell_length_c 7.08033399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.3358013732523615,
3.06587455290469,
7.509828270000001
],
[
1.4452671244174535,
1.0219581843015624,
2.50327609
],
[
0,
0,
0
],
[
2.8905342488349075,
2.043916368603126,
5.00655218
]
] | [
[
4.3358013732523615,
0,
2.5032760900000004
],
[
1.445267124417454,
4.087832737206253,
2.5032760900000004
],
[
0,
0,
5.00655218
]
] | [
69,
69,
30,
79
] | [
1,
1,
1
] | -0.625707 | 0 | 0.005621 | 225 | 225 | [
"Au",
"Tm",
"Zn"
] |
mp-1220986 | mp-1220986 | NaNO3 | # generated using pymatgen
data_NaNO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15617842
_cell_length_b 4.15617842
_cell_length_c 4.15617927
_cell_angle_alpha 76.22427256
_cell_angle_beta 76.22427256
_cell_angle_gamma 76.22427571
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NaNO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13040818
_cell_length_b 5.13040818
_cell_length_c 8.74649226
_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
],
[
2.4064858487640124,
1.980634121080577,
3.0677672718320235
],
[
2.598300447837151,
2.9593605107443017,
2.285407047318679
],
[
3.212016819812774,
1.0019077314168514,
3.0677672718320235
],
[
1.409140278642112,
1.9806341210805765,
... | [
[
4.036626962456189,
0,
0.9896776368320235
],
[
0.7763447350718361,
3.961268242161154,
0.9896776368320235
],
[
0,
0,
4.15617927
]
] | [
11,
7,
8,
8,
8
] | [
1,
1,
1
] | -1.356309 | 2.8906 | 0.011083 | 155 | 155 | [
"N",
"Na",
"O"
] |
mp-11340 | mp-11340 | Dy(Ni2As)2 | # generated using pymatgen
data_Dy(Ni2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24707900
_cell_length_b 7.24707900
_cell_length_c 3.76934600
_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_Dy(Ni2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24707900
_cell_length_b 7.24707900
_cell_length_c 3.76934600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.769346,
3.6235395,
3.6235395000000006
],
[
1.8846729999999998,
0,
1.1540293784447197e-16
],
[
1.8846729999999996,
6.131637588636001,
2.984158708146001
],
[
-4.04604823016885e-16,
6.607698208146001,
4.738980911364002
],
[
3.769346,
2.5080980... | [
[
3.769346,
0,
2.30805875688944e-16
],
[
-4.4375560502590007e-16,
7.247079,
4.4375560502590007e-16
],
[
0,
0,
7.247079
]
] | [
66,
66,
28,
28,
28,
28,
28,
28,
28,
28,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.62974 | 0 | 0 | 136 | 136 | [
"As",
"Dy",
"Ni"
] |
mp-4402 | mp-4402 | La(CoP)2 | # generated using pymatgen
data_La(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30940571
_cell_length_b 6.30940571
_cell_length_c 6.30940571
_cell_angle_alpha 145.58962026
_cell_angle_beta 145.58962026
_cell_angle_gamma 49.45671905
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_La(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73257600
_cell_length_b 3.73257600
_cell_length_c 11.46168201
_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
],
[
2.5886922906805614,
0.8872802441802519,
2.0506271106806837
],
[
0.634978678511541,
2.6618407325407567,
2.0506271106969125
],
[
1.141695310449075,
1.256956685115512,
3.6870393212966897
],
[
2.081975658743028,
2.292164291605495,
... | [
[
3.5655490967650714,
0,
-1.1040757443274305
],
[
-0.341878127572969,
3.549120976721009,
-1.1040757442949727
],
[
0,
0,
6.30940571
]
] | [
57,
27,
27,
15,
15
] | [
1,
1,
1
] | -0.997823 | 0 | 0 | 139 | 139 | [
"Co",
"La",
"P"
] |
mp-1213063 | mp-1213063 | CsTbMnSe3 | # generated using pymatgen
data_CsTbMnSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38226082
_cell_length_b 8.38226082
_cell_length_c 11.10739700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.51631238
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_CsTbMnSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26597200
_cell_length_b 16.21267001
_cell_length_c 11.10739700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.132986000755408,
3.9370199334040343,
8.330547750000001
],
[
-1.018473756366137e-15,
4.169315069239795,
2.776849250000002
],
[
0,
0,
0
],
[
0,
0,
5.5536985
],
[
-1.1610863888918366e-15,
7.486475990331667,
8.330547750000001
],
[
2... | [
[
4.265972001510817,
0,
1.2084515155418369e-15
],
[
-2.13298600075541,
8.10633500264383,
5.132654441415634e-16
],
[
0,
0,
11.107397
]
] | [
55,
55,
65,
65,
25,
25,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.570111 | 0.5118 | 0 | 63 | 63 | [
"Cs",
"Mn",
"Se",
"Tb"
] |
mp-16506 | mp-16506 | Li3Al2 | # generated using pymatgen
data_Li3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37204939
_cell_length_b 5.37204939
_cell_length_c 5.37204939
_cell_angle_alpha 48.86113274
_cell_angle_beta 48.86113274
_cell_angle_gamma 48.86113240
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li3Al2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44365401
_cell_length_b 4.44365401
_cell_length_c 14.15952149
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3750111583274522,
2.2178249077090957,
3.314466217345256
],
[
2.276229194120326,
1.4957810702102765,
5.7332867419495654
],
[
0,
0,
0
],
[
1.1204149122762963,
0.7362595211822948,
2.905606843464191
],
[
4.530825440171481,
2.9773464567370778,
... | [
[
4.045783228859327,
0,
1.83785178464741
],
[
1.6054571235884507,
3.713605977919372,
1.8378517846474107
],
[
0,
0,
5.37204939
]
] | [
3,
3,
3,
13,
13
] | [
1,
1,
1
] | -0.187246 | 0 | 0 | 166 | 166 | [
"Li",
"Al"
] |
mp-1217431 | mp-1217431 | TbYNi4(B2C)2 | # generated using pymatgen
data_TbYNi4(B2C)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53943600
_cell_length_b 3.53943600
_cell_length_c 10.45541000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_TbYNi4(B2C)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53943600
_cell_length_b 3.53943600
_cell_length_c 10.45541000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
5.227705
],
[
1.769718,
1.769718,
2.1672794840934555e-16
],
[
-1.0836397420467278e-16,
1.769718,
2.61367475803
],
[
1.769718,
0,
7.841735241970001
],
[
1.769718,
0,
2.61367475803
],
[
-1.0836397420467278e-16,
1.769718,
... | [
[
3.539436,
0,
2.1672794840934555e-16
],
[
-2.1672794840934555e-16,
3.539436,
2.1672794840934555e-16
],
[
0,
0,
10.45541
]
] | [
65,
39,
28,
28,
28,
28,
5,
5,
5,
5,
6,
6
] | [
1,
1,
1
] | -0.507449 | 0 | 0.004127 | 123 | 123 | [
"B",
"C",
"Ni",
"Tb",
"Y"
] |
mp-676060 | mp-676060 | Gd2CuO4 | # generated using pymatgen
data_Gd2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51943700
_cell_length_b 5.52385400
_cell_length_c 6.55743089
_cell_angle_alpha 66.44250129
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Gd2CuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52385400
_cell_length_b 5.51943700
_cell_length_c 6.55743089
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.55749871
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7435023940939995,
4.270276547966698,
2.709429629344849
],
[
0.016216105906000484,
1.7385300595937776,
3.81328671789408
],
[
5.5032208940939995,
3.324962917152063,
0.5364299950074556
],
[
2.7759346059060004,
0.7932164287791428,
1.6402870835566872
],
... | [
[
5.519437,
0,
3.379680427572735e-16
],
[
-3.100495233238449e-16,
5.063492976745841,
-2.2077141770984636
],
[
0,
0,
6.55743089
]
] | [
64,
64,
64,
64,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.030211 | 0 | 0.028896 | 14 | 14 | [
"Cu",
"Gd",
"O"
] |
mp-1186958 | mp-1186958 | Sc2CuRh | # generated using pymatgen
data_Sc2CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59363435
_cell_length_b 4.59363435
_cell_length_c 4.59363435
_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_Sc2CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49638000
_cell_length_b 6.49638000
_cell_length_c 6.49638000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3260680142656056,
0.9376716852017885,
2.296817175
],
[
3.9782040427968175,
2.813015055605368,
6.890451525000001
],
[
0,
0,
0
],
[
2.6521360285312117,
1.8753433704035782,
4.59363435
]
] | [
[
3.9782040427968175,
0,
2.2968171750000006
],
[
1.326068014265606,
3.7506867408071574,
2.2968171750000006
],
[
0,
0,
4.59363435
]
] | [
21,
21,
29,
45
] | [
1,
1,
1
] | -0.638488 | 0 | 0.017515 | 225 | 225 | [
"Cu",
"Rh",
"Sc"
] |
mp-1220872 | mp-1220872 | NaSr2Ta3O9 | # generated using pymatgen
data_NaSr2Ta3O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71354738
_cell_length_b 5.71354738
_cell_length_c 6.99427400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999284
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_NaSr2Ta3O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71354738
_cell_length_b 5.71354738
_cell_length_c 6.99427400
_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
],
[
-9.515924344186798e-16,
3.2987179988712194,
4.6899125108640005
],
[
2.8567739991696475,
1.6493589994356093,
2.304361489136001
],
[
0,
0,
3.497137
],
[
-9.515924344186798e-16,
3.2987179988712194,
1.1458858979679998
],
[
... | [
[
5.713547998339295,
0,
1.6185164214085015e-15
],
[
-2.856773999169649,
4.948076998306829,
3.498538755346873e-16
],
[
0,
0,
6.994274
]
] | [
11,
38,
38,
73,
73,
73,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.236077 | 0 | 0.017839 | 164 | 164 | [
"Na",
"O",
"Sr",
"Ta"
] |
mp-1185968 | mp-1185968 | MgSc3 | # generated using pymatgen
data_MgSc3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18989296
_cell_length_b 6.18989296
_cell_length_c 6.18989296
_cell_angle_alpha 149.30148901
_cell_angle_beta 126.25773176
_cell_angle_gamma 63.17390556
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgSc3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27695600
_cell_length_b 5.59548200
_cell_length_c 10.54567400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0047821717453063,
4.095785981197724,
-2.5293945604318653
],
[
0.6123971377147484,
1.2206192244261314,
2.2310096709780023
],
[
1.8549727065234496,
3.7113598034049717,
0.5679208563265505
],
[
-0.2361515808441018,
1.681396815505476,
-0.8603182936612922
... | [
[
3.160067693252432,
0,
-0.8674173113643185
],
[
-0.6942143241020011,
4.942798814435904,
-2.529075946101497
],
[
0,
0,
6.18989296
]
] | [
12,
21,
21,
21
] | [
1,
1,
1
] | 0.020726 | 0 | 0.049801 | 44 | 44 | [
"Mg",
"Sc"
] |
mp-1213028 | mp-1213028 | ErMn6(Sn2Ge)2 | # generated using pymatgen
data_ErMn6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34642040
_cell_length_b 5.34642040
_cell_length_c 8.66462400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000494
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_ErMn6(Sn2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34642040
_cell_length_b 5.34642040
_cell_length_c 8.66462400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | [
[
0,
0,
0
],
[
1.1849643489099716e-15,
4.630136000952464,
2.0141611657920016
],
[
1.1849643489099716e-15,
4.630136000952464,
6.6504628342080006
],
[
-1.3366050001982708,
2.3150680004762325,
2.0141611657920007
],
[
-1.3366050001982708,
2.3150680... | [
[
5.346420000793084,
0,
1.514517523882818e-15
],
[
-2.6732100003965416,
4.630136000952465,
3.273738314878056e-16
],
[
0,
0,
8.664624
]
] | [
68,
25,
25,
25,
25,
25,
25,
50,
50,
50,
50,
32,
32
] | [
1,
1,
1
] | -0.226037 | 0 | 0 | 191 | 191 | [
"Er",
"Ge",
"Mn",
"Sn"
] |
mp-22485 | mp-22485 | TbCuSb2 | # generated using pymatgen
data_TbCuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29701700
_cell_length_b 4.29701700
_cell_length_c 9.90483500
_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_TbCuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29701700
_cell_length_b 4.29701700
_cell_length_c 9.90483500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.3155820287329407e-16,
2.1485085,
7.454259962980001
],
[
2.1485085,
0,
2.45057503702
],
[
2.1485085,
2.1485085,
4.9524175
],
[
0,
0,
4.9524175
],
[
2.1485085,
2.1485085,
2.6311640574658815e-16
],
[
0,
0,
0
],
[
-... | [
[
4.297017,
0,
2.6311640574658815e-16
],
[
-2.6311640574658815e-16,
4.297017,
2.6311640574658815e-16
],
[
0,
0,
9.904835
]
] | [
65,
65,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | -0.716308 | 0 | 0 | 129 | 129 | [
"Cu",
"Sb",
"Tb"
] |
mp-9948 | mp-9948 | V5Te4 | # generated using pymatgen
data_V5Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13819421
_cell_length_b 7.13819421
_cell_length_c 7.13819421
_cell_angle_alpha 94.44967689
_cell_angle_beta 94.44967689
_cell_angle_gamma 147.65405423
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V5Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.69542601
_cell_length_b 9.69542601
_cell_length_c 3.97651800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
0,
0,
0
],
[
1.4325566965980392,
0.485239694751747,
2.1986058307333076
],
[
3.68399028914333,
5.143126679999383,
1.5736481629928865
],
[
2.0447317532233145,
1.7125747957454984,
7.2259636580383075
],
[
4.296165345768606,
6.370461780993133,
... | [
[
3.8191480279677625,
0,
1.1076117406072246
],
[
1.9095740143988824,
6.85570147574488,
0.5538058704239687
],
[
0,
0,
7.13819421
]
] | [
23,
23,
23,
23,
23,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.493305 | 0 | 0 | 87 | 87 | [
"V",
"Te"
] |
mp-1212725 | mp-1212725 | EuICl | # generated using pymatgen
data_EuICl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39578700
_cell_length_b 8.40391400
_cell_length_c 10.67812100
_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_EuICl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39578700
_cell_length_b 8.40391400
_cell_length_c 10.67812100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0989467499999996,
5.683222477726001,
6.756762590807001
],
[
3.2968402500000002,
2.720691522274,
3.9213584091930005
],
[
3.29684025,
6.922648522274,
1.4177020908070006
],
[
1.09894675,
1.4812654777260001,
9.260418909193001
],
[
1.098946749999999... | [
[
4.395787,
0,
2.6916432396417734e-16
],
[
-5.145913190204815e-16,
8.403914,
5.145913190204815e-16
],
[
0,
0,
10.678121
]
] | [
63,
63,
63,
63,
53,
53,
53,
53,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.303082 | 0.9205 | 0.017303 | 62 | 62 | [
"Cl",
"Eu",
"I"
] |
mp-728 | mp-728 | Li2Pd | # generated using pymatgen
data_Li2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23444170
_cell_length_b 4.23444170
_cell_length_c 2.73790100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999536
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23444170
_cell_length_b 4.23444170
_cell_length_c 2.73790100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3689505000000008,
2.44475616966909,
-1.9798436209425454e-7
],
[
1.3689505000000004,
1.2223780848345451,
2.117220751007819
],
[
0,
0,
0
]
] | [
[
2.737901,
0,
1.6764808480161686e-16
],
[
1.4039875421555431e-15,
3.667134254503635,
-2.117221146976543
],
[
0,
0,
4.2344417
]
] | [
3,
3,
46
] | [
1,
1,
1
] | -0.384278 | 0 | 0 | 191 | 191 | [
"Li",
"Pd"
] |
mp-1184542 | mp-1184542 | Eu3Ga5 | # generated using pymatgen
data_Eu3Ga5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95983447
_cell_length_b 5.95983447
_cell_length_c 15.09931300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.31642883
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu3Ga5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62707000
_cell_length_b 10.98493199
_cell_length_c 15.09931300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-4.418687970591837e-16,
1.3807839816177738,
3.7748282500000006
],
[
2.3135349983881213,
4.111682014729718,
11.324484750000002
],
[
-2.5781903065791137e-16,
4.478172300802001,
1.6185104597830013
],
[
-2.5781903065791137e-16,
4.478172300802001,
5.931146040... | [
[
4.6270699967762425,
0,
1.3107422524437856e-15
],
[
-2.313534998388121,
5.492465996347492,
3.6493461035667804e-16
],
[
0,
0,
15.099313
]
] | [
63,
63,
63,
63,
63,
63,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.535876 | 0 | 0.005032 | 63 | 63 | [
"Eu",
"Ga"
] |
mp-1214603 | mp-1214603 | Ba3Cd(GeO4)2 | # generated using pymatgen
data_Ba3Cd(GeO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93462474
_cell_length_b 5.93462474
_cell_length_c 7.62879600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000825
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba3Cd(GeO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93462474
_cell_length_b 5.93462474
_cell_length_c 7.62879600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
7.759464182292371e-16,
3.4263573335991735,
5.065589203164001
],
[
2.9673119999799793,
1.7131786667995865,
2.5632067968360017
],
[
0,
0,
0
],
[
0,
0,
3.814398
],
[
7.759464182292371e-16,
3.4263573335991735,
1.6480030271040016
],
[
... | [
[
5.934623999959958,
0,
1.6811421557344192e-15
],
[
-2.9673119999799793,
5.139536000398761,
3.6339095959908467e-16
],
[
0,
0,
7.628796
]
] | [
56,
56,
56,
48,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.56778 | 2.8589 | 0.032165 | 164 | 164 | [
"Ba",
"Cd",
"Ge",
"O"
] |
mp-755653 | mp-755653 | LiFeF5 | # generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21425385
_cell_length_b 5.21425385
_cell_length_c 7.71948960
_cell_angle_alpha 67.75763238
_cell_angle_beta 67.75763238
_cell_angle_gamma 71.20935363
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47893200
_cell_length_b 6.07136600
_cell_length_c 7.71948960
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.74649063
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6971977378175547,
2.3500825647402506,
0.25478484324126294
],
[
0.22695104924274787,
2.369868600022938,
4.792793368913606
],
[
0,
0,
0
],
[
2.4825047202901622,
0,
2.955469545582242
],
[
3.8461313303846465,
1.0041932100591926,
-0.60658220... | [
[
4.965009440580325,
0,
-1.592835354701819
],
[
-2.040860653520023,
4.71995116476319,
-0.8633608790096158
],
[
0,
0,
7.503774445866304
]
] | [
3,
3,
26,
26,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.456945 | 0.5142 | 0.006396 | 15 | 15 | [
"F",
"Fe",
"Li"
] |
mp-754777 | mp-754777 | NaLaO2 | # generated using pymatgen
data_NaLaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00360623
_cell_length_b 6.00360623
_cell_length_c 6.00360620
_cell_angle_alpha 35.71339515
_cell_angle_beta 35.71339515
_cell_angle_gamma 35.71339782
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaLaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68185986
_cell_length_b 3.68185986
_cell_length_c 16.84402902
_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
],
[
2.5374399890351147,
1.5664721101118273,
4.130798758634443
],
[
1.211404300045232,
0.7478525830327075,
2.243311810648386
],
[
3.8634756780249977,
2.385091637190947,
6.018285706620497
]
] | [
[
3.504491380343602,
0,
1.1289956586344423
],
[
1.570388597726627,
3.1329442202236546,
1.1289956586344423
],
[
0,
0,
6.0036062
]
] | [
11,
57,
8,
8
] | [
1,
1,
1
] | -2.996383 | 3.9804 | 0.044238 | 166 | 166 | [
"Na",
"La",
"O"
] |
mp-1671 | mp-1671 | YbSi2 | # generated using pymatgen
data_YbSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08580258
_cell_length_b 4.08580258
_cell_length_c 4.11215200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000944
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08580258
_cell_length_b 4.08580258
_cell_length_c 4.11215200
_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
],
[
2.0429009985074993,
1.1794696658070862,
2.056076000000001
],
[
-4.472645216048916e-16,
2.358939331614173,
2.0560760000000005
]
] | [
[
4.085801997014999,
0,
1.1574135071088135e-15
],
[
-2.0429009985074993,
3.538408997421259,
2.501832525772499e-16
],
[
0,
0,
4.112152
]
] | [
70,
14,
14
] | [
1,
1,
1
] | -0.305581 | 0 | 0.068537 | 191 | 191 | [
"Yb",
"Si"
] |
mp-1172969 | mp-1172969 | Li2FePO4F | # generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37179300
_cell_length_b 5.42605915
_cell_length_c 7.51008971
_cell_angle_alpha 107.06274369
_cell_angle_beta 107.92467262
_cell_angle_gamma 94.82419309
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37179300
_cell_length_b 5.42605915
_cell_length_c 7.51008971
_cell_angle_alpha 107.06274369
_cell_angle_beta 107.92467262
_cell_angle_gamma 94.82419309
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.6161755850472543,
2.963424448227853,
-0.17530351821742937
],
[
2.2472689173270144,
0.6648006729979332,
5.405647737280338
],
[
1.562560727390707,
5.062130487533342,
1.194780815137883
],
[
3.6662918993710383,
2.274660527299076,
4.172732788754747
],
[... | [
[
5.111056708439915,
0,
-1.653257196554831
],
[
-0.9945969392244186,
5.090981077298392,
-1.5921075649508871
],
[
0,
0,
7.51008971
]
] | [
3,
3,
3,
3,
26,
26,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9
] | [
1,
1,
1
] | -2.574097 | 4.2299 | 0.058497 | 1 | 1 | [
"F",
"Fe",
"Li",
"O",
"P"
] |
mp-915 | mp-915 | YCd | # generated using pymatgen
data_YCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75720600
_cell_length_b 3.75720600
_cell_length_c 3.75720600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCd... | # generated using pymatgen
data_YCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75720600
_cell_length_b 3.75720600
_cell_length_c 3.75720600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCd... | [
[
0,
0,
0
],
[
1.8786029999999998,
1.878603,
1.8786030000000002
]
] | [
[
3.757206,
0,
2.300625150818615e-16
],
[
-2.300625150818615e-16,
3.757206,
2.300625150818615e-16
],
[
0,
0,
3.757206
]
] | [
39,
48
] | [
1,
1,
1
] | -0.35574 | 0 | 0 | 221 | 221 | [
"Y",
"Cd"
] |
mp-556995 | mp-556995 | Nd2O3 | # generated using pymatgen
data_Nd2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50546335
_cell_length_b 7.50546335
_cell_length_c 9.05741714
_cell_angle_alpha 80.15714555
_cell_angle_beta 80.15714555
_cell_angle_gamma 28.59617074
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_Nd2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.54594801
_cell_length_b 3.70719800
_cell_length_c 9.05741714
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.16077995
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8535990004671397,
1.9252597172296586,
4.091355907483357
],
[
1.9626967850171056e-16,
5.233649290362071,
3.683028627832546
],
[
-3.4671902289003415e-16,
4.428028624101742,
7.0151894962253465
],
[
1.853599000467139,
6.683586085123669,
0.5072234621586483
... | [
[
3.7071980009342793,
0,
2.270004082824816e-16
],
[
-1.85359900046714,
7.158909007591729,
-1.2830326046840972
],
[
0,
0,
9.05741714
]
] | [
60,
60,
60,
60,
60,
60,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.753317 | 3.7122 | 0.028232 | 12 | 12 | [
"Nd",
"O"
] |
mp-14015 | mp-14015 | HoMn12 | # generated using pymatgen
data_HoMn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29886341
_cell_length_b 6.29886341
_cell_length_c 6.29886341
_cell_angle_alpha 97.98245535
_cell_angle_beta 97.98245535
_cell_angle_gamma 136.24140961
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HoMn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26630800
_cell_length_b 8.26630800
_cell_length_c 4.69457400
_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
],
[
3.8576478696395142,
4.506702076224952,
2.9914969683546095
],
[
4.356428430611633,
8.373552262855729e-18,
4.898876296425975
],
[
1.0891071072209442,
2.9225812217579397,
6.736224557683028
],
[
3.2673213225267603,
2.9225812217579397... | [
[
4.356428430611633,
0,
1.7494445914259742
],
[
2.178214214441888,
5.845162443515879,
0.8747222953660533
],
[
0,
0,
6.298863410000001
]
] | [
67,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25
] | [
1,
1,
1
] | -0.009508 | 0 | 0 | 139 | 139 | [
"Ho",
"Mn"
] |
mp-4590 | mp-4590 | Mg(GaO2)2 | # generated using pymatgen
data_Mg(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97983093
_cell_length_b 5.97983093
_cell_length_c 5.97983093
_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_Mg(GaO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45675800
_cell_length_b 8.45675800
_cell_length_c 8.45675800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.4524569971439485,
2.441255754435432,
5.9798309299999985
],
[
1.7262284985719747,
1.2206278772177155,
2.9899154649999993
],
[
5.178685495715925,
1.8309418158265733,
8.969746395
],
[
6.041799745001912,
4.272197570262006,
10.4647041275
],
[
6.0417... | [
[
5.178685495715926,
0,
2.9899154649999997
],
[
1.7262284985719738,
4.882511508870864,
2.989915465
],
[
0,
0,
5.979830929999999
]
] | [
12,
12,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.530286 | 3.112 | 0.007094 | 227 | 227 | [
"Mg",
"Ga",
"O"
] |
mvc-13419 | mvc-13419 | CaLa2CrO6 | # generated using pymatgen
data_CaLa2CrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69576129
_cell_length_b 5.69576129
_cell_length_c 5.69576063
_cell_angle_alpha 62.03305401
_cell_angle_beta 62.03305401
_cell_angle_gamma 62.03305196
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CaLa2CrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86988392
_cell_length_b 5.86988392
_cell_length_c 13.73348597
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.318303044935051,
2.3836782319732728,
5.518976553717925
],
[
1.5971457117698693,
1.1472977045439838,
2.65636068097619
],
[
5.039460378100233,
3.6200587594025615,
8.38159242645966
],
[
0,
0,
0
],
[
3.7289323916293884,
1.0217827435611986,
... | [
[
5.030600516456203,
0,
2.671096238717925
],
[
1.6060055734138994,
4.7673564639465456,
2.671096238717925
],
[
0,
0,
5.69576063
]
] | [
20,
57,
57,
24,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.221538 | 0 | 0.062589 | 148 | 148 | [
"Ca",
"Cr",
"La",
"O"
] |
mp-1247113 | mp-1247113 | MgAlCrS4 | # generated using pymatgen
data_MgAlCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20887690
_cell_length_b 7.23453850
_cell_length_c 7.23473596
_cell_angle_alpha 60.22790939
_cell_angle_beta 60.11659651
_cell_angle_gamma 60.11797616
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgAlCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20887690
_cell_length_b 7.25954514
_cell_length_c 10.23179563
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.0470362860527254,
0.7342131742104228,
5.439560662588719
],
[
1.0457426923317281,
5.186414501805746,
-1.797196920972327
],
[
4.171531640896091,
2.960247289977319,
0.025270446691947886
],
[
1.0464983050176848,
2.960404187024942,
1.821216644056542
],
... | [
[
6.2503926032054355,
0,
-3.5917263906300527
],
[
-4.157601224419879,
5.920643306514498,
-0.0005924134139553563
],
[
0,
0,
7.23473596
]
] | [
12,
12,
13,
13,
24,
24,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.328118 | 1.3866 | 0.013663 | 74 | 74 | [
"Al",
"Cr",
"Mg",
"S"
] |
mp-30886 | mp-30886 | YZn12 | # generated using pymatgen
data_YZn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81572223
_cell_length_b 6.81572223
_cell_length_c 6.81572223
_cell_angle_alpha 98.36026784
_cell_angle_beta 98.36026784
_cell_angle_gamma 135.17035392
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YZn12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91064401
_cell_length_b 8.91064401
_cell_length_c 5.19780000
_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,
0
],
[
5.324182148791021,
4.939443567508534,
7.539212039686238
],
[
2.402546391196977,
6.300776801738565,
4.398846515199272
],
[
3.603819585544052,
3.1503884008692826,
1.4864780997827347
],
[
1.2012731955984888,
3.1503884008692826,
... | [
[
4.805092779891127,
0,
1.9819707993661966
],
[
2.402546391196977,
6.300776801738565,
0.9909854001992727
],
[
0,
0,
6.81572223
]
] | [
39,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.185829 | 0 | 0 | 139 | 139 | [
"Y",
"Zn"
] |
mp-989581 | mp-989581 | LaReN3 | # generated using pymatgen
data_LaReN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59664966
_cell_length_b 5.59664966
_cell_length_c 5.59664985
_cell_angle_alpha 60.27897453
_cell_angle_beta 60.27897453
_cell_angle_gamma 60.27896933
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaReN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62023226
_cell_length_b 5.62023226
_cell_length_c 13.67996192
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.6178494176912235,
1.1464151517306467,
2.786508646674385
],
[
4.8535482530736695,
3.439245455191939,
8.359525940023158
],
[
0,
0,
0
],
[
3.2356988353824465,
2.2928303034612925,
5.573017293348771
],
[
2.2359655960261224,
3.439245455191939,
... | [
[
4.86040838590804,
0,
2.774692368348771
],
[
1.6109892848568526,
4.585660606922585,
2.774692368348771
],
[
0,
0,
5.59664985
]
] | [
57,
57,
75,
75,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.959092 | 0 | 0 | 167 | 167 | [
"La",
"N",
"Re"
] |
mp-30278 | mp-30278 | Ce3Ga4Cl | # generated using pymatgen
data_Ce3Ga4Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94607332
_cell_length_b 7.94607332
_cell_length_c 7.94607332
_cell_angle_alpha 119.40896075
_cell_angle_beta 119.40896075
_cell_angle_gamma 91.02679524
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ce3Ga4Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01695400
_cell_length_b 8.01695400
_cell_length_c 11.13630199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.733903746689446,
1.0376930615510156,
0.7320952311936211
],
[
-0.29943047325187566,
2.215487601538651,
5.923956584558361
],
[
2.6622654851344207,
4.290873724640683,
-2.022116735636351
],
[
-0.3710687348069007,
5.468668264628318,
3.1697446177283886
],
... | [
[
6.922118678924647,
0,
-3.9018398495324407
],
[
-4.559283667042102,
6.506361326179333,
-0.14239362154554844
],
[
0,
0,
7.946073319999999
]
] | [
58,
58,
58,
58,
58,
58,
31,
31,
31,
31,
31,
31,
31,
31,
17,
17
] | [
1,
1,
1
] | -0.952954 | 0 | 0 | 140 | 140 | [
"Ce",
"Cl",
"Ga"
] |
mp-1111328 | mp-1111328 | K3TlCl6 | # generated using pymatgen
data_K3TlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88272882
_cell_length_b 7.88272882
_cell_length_c 7.88272882
_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_K3TlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.14786201
_cell_length_b 11.14786201
_cell_length_c 11.14786201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.27554780308791,
1.609055282477609,
3.9413644099999994
],
[
6.826643409263733,
4.827165847432835,
11.824093229999997
],
[
4.551095606175822,
3.2181105649552224,
7.882728819999998
],
[
0,
0,
0
],
[
3.340886466963972,
4.9296047429364895,
5... | [
[
6.826643409263732,
0,
3.941364409999999
],
[
2.275547803087912,
6.4362211299104475,
3.9413644099999985
],
[
0,
0,
7.88272882
]
] | [
19,
19,
19,
81,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.769637 | 2.4663 | 0.063048 | 225 | 225 | [
"Cl",
"K",
"Tl"
] |
mp-1222094 | mp-1222094 | Mg4Te3Se | # generated using pymatgen
data_Mg4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52516800
_cell_length_b 4.52516800
_cell_length_c 12.70419600
_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_Mg4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52516800
_cell_length_b 4.52516800
_cell_length_c 12.70419600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.262584,
0,
7.756140333528
],
[
-1.3854331267010074e-16,
2.262584,
4.948055666472
],
[
2.262584,
0,
1.6350935461800002
],
[
-1.3854331267010074e-16,
2.262584,
11.069102453820001
],
[
2.262584,
2.262584,
3.2815827561720003
],
[
0,... | [
[
4.525168,
0,
2.770866253402015e-16
],
[
-2.770866253402015e-16,
4.525168,
2.770866253402015e-16
],
[
0,
0,
12.704196
]
] | [
12,
12,
12,
12,
52,
52,
52,
34
] | [
1,
1,
1
] | -1.172885 | 2.8152 | 0.01444 | 115 | 115 | [
"Mg",
"Se",
"Te"
] |
mp-1225374 | mp-1225374 | Eu4BPd12 | # generated using pymatgen
data_Eu4BPd12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28585900
_cell_length_b 4.28585900
_cell_length_c 16.63976900
_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_Eu4BPd12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28585900
_cell_length_b 4.28585900
_cell_length_c 16.63976900
_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,
14.460741330143001
],
[
0,
0,
2.1790276698570006
],
[
0,
0,
6.24523810108
],
[
0,
0,
10.394530898920001
],
[
2.1429295,
2.1429295,
2.6243317529734384e-16
],
[
-1.3121658764867192e-16,
2.1429295,
1.3121658764867192e-1... | [
[
4.285859,
0,
2.6243317529734384e-16
],
[
-2.6243317529734384e-16,
4.285859,
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],
[
0,
0,
16.639769
]
] | [
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63,
63,
63,
5,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.564313 | 0 | 0.009952 | 123 | 123 | [
"B",
"Eu",
"Pd"
] |
mp-675192 | mp-675192 | Ce3Dy2O9 | # generated using pymatgen
data_Ce3Dy2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.88558802
_cell_length_b 13.88558802
_cell_length_c 13.88558802
_cell_angle_alpha 164.03683679
_cell_angle_beta 164.03683679
_cell_angle_gamma 22.64956598
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ce3Dy2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85616000
_cell_length_b 3.85616000
_cell_length_c 27.23046600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.5209136247036981,
2.4785741496578044,
3.7151582316230307
],
[
1.2758737940189093,
3.248525415150653,
9.099537441054997
],
[
2.8453341956035443,
0.9545165941347429,
6.4073478361729785
],
[
3.5735566602214974,
1.6971992295663507,
11.601033619473027
],
... | [
[
3.8188044387246656,
0,
-0.5354461739100401
],
[
-0.07507653375981699,
3.8180663765389724,
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],
[
0,
0,
13.88558802
]
] | [
58,
58,
58,
66,
66,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.891352 | 2.046 | 0.066118 | 119 | 119 | [
"Ce",
"Dy",
"O"
] |
mp-28328 | mp-28328 | RbI3 | # generated using pymatgen
data_RbI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99464100
_cell_length_b 10.11562000
_cell_length_c 11.01980900
_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_RbI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99464100
_cell_length_b 10.11562000
_cell_length_c 11.01980900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7486602499999997,
4.786205603,
9.124357772764
],
[
5.245980749999999,
5.329414397000001,
1.8954512272360007
],
[
5.245980749999998,
9.844015602999999,
7.405355727236001
],
[
1.74866025,
0.271604397,
3.6144532727640004
],
[
1.7486602499999995,
... | [
[
6.994641,
0,
4.2829823559174207e-16
],
[
-6.194030827195475e-16,
10.11562,
6.194030827195475e-16
],
[
0,
0,
11.019809
]
] | [
37,
37,
37,
37,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.074113 | 1.9641 | 0 | 62 | 62 | [
"I",
"Rb"
] |
mp-1102197 | mp-1102197 | CsSeO4 | # generated using pymatgen
data_CsSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50426415
_cell_length_b 8.50426415
_cell_length_c 8.50426415
_cell_angle_alpha 138.97452312
_cell_angle_beta 138.97452312
_cell_angle_gamma 59.41370122
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96005400
_cell_length_b 5.96005400
_cell_length_c 14.77313601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9912679914656897,
1.3817982866084375,
2.1636360511612365
],
[
0,
0,
0
],
[
0.8094986978423209,
4.145394859825313,
2.163636051425055
],
[
2.4003833446540046,
2.7635965732168746,
-2.0884960237068535
],
[
-0.18076447746348878,
4.49753233518460... | [
[
5.582152638277373,
0,
-2.0884960239706722
],
[
-0.7813859489693629,
5.52719314643375,
-2.088496023443035
],
[
0,
0,
8.50426415
]
] | [
55,
55,
34,
34,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.311741 | 0 | 0.041404 | 141 | 141 | [
"Cs",
"O",
"Se"
] |
mp-1517320 | mp-1517320 | SrCaPrSbO6 | # generated using pymatgen
data_SrCaPrSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86512391
_cell_length_b 6.01672046
_cell_length_c 8.41530104
_cell_angle_alpha 90.20186312
_cell_angle_beta 90.56058329
_cell_angle_gamma 90.02361684
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrCaPrSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86512391
_cell_length_b 6.01672046
_cell_length_c 8.41530104
_cell_angle_alpha 90.20186312
_cell_angle_beta 90.56058329
_cell_angle_gamma 90.02361684
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.8691163217575735,
3.2933657090876967,
6.29808182852417
],
[
2.998414432716605,
2.7233168086187085,
2.0810335348463207
],
[
0.08152547968046127,
0.28175245794771514,
6.2814998702234535
],
[
5.786005274793718,
5.73493005975869,
2.0976154931470368
],
... | [
[
5.864843186504566,
0,
-0.05738359839414061
],
[
0.002687567969612629,
6.016682517706405,
0.021197921764631738
],
[
0,
0,
8.41530104
]
] | [
38,
38,
20,
20,
59,
59,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.006873 | 3.3749 | 0.005623 | 2 | 2 | [
"Ca",
"O",
"Pr",
"Sb",
"Sr"
] |
mp-773045 | mp-773045 | Li2V3FeO8 | # generated using pymatgen
data_Li2V3FeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95026386
_cell_length_b 5.95026386
_cell_length_c 5.95026338
_cell_angle_alpha 59.89224508
_cell_angle_beta 59.89224508
_cell_angle_gamma 59.89224568
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li2V3FeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94056985
_cell_length_b 5.94056985
_cell_length_c 14.58696795
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.8310330720831525,
0.5871514316777084,
4.507741009632021
],
[
3.437699071341015,
2.428844289379907,
5.933305984330976
],
[
0.9267433285545964,
2.4062835615765943,
7.426221839285132
],
[
2.5776345106550616,
0.06967140887216704,
7.426221839285134
],
[... | [
[
5.14747528660621,
0,
2.965445432888252
],
[
1.7195450912148784,
4.851769420067332,
2.965445432888252
],
[
0,
0,
5.95026338
]
] | [
3,
3,
23,
23,
23,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.300138 | 0 | 0.069887 | 160 | 160 | [
"Fe",
"Li",
"O",
"V"
] |
mp-8546 | mp-8546 | SmB4 | # generated using pymatgen
data_SmB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18655700
_cell_length_b 7.18655700
_cell_length_c 4.08152100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | # generated using pymatgen
data_SmB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18655700
_cell_length_b 7.18655700
_cell_length_c 4.08152100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | [
[
4.081521,
1.313681059929,
4.906959559929
],
[
4.081521,
4.906959559929,
5.872875940071
],
[
4.081521,
2.279597440071,
1.3136810599290003
],
[
4.081521,
5.872875940071,
2.2795974400710004
],
[
2.0407605,
2.336069404977,
3.314325103488
],... | [
[
4.081521,
0,
2.4992108141513524e-16
],
[
-4.4004970134700024e-16,
7.186557,
4.4004970134700024e-16
],
[
0,
0,
7.186557
]
] | [
62,
62,
62,
62,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.583694 | 0 | 0 | 127 | 127 | [
"B",
"Sm"
] |
mp-1106215 | mp-1106215 | TiPbO3 | # generated using pymatgen
data_TiPbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80474100
_cell_length_b 9.19883569
_cell_length_c 9.19883569
_cell_angle_alpha 87.54879647
_cell_angle_beta 78.06478706
_cell_angle_gamma 78.06478706
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiPbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.72788800
_cell_length_b 12.72788800
_cell_length_c 3.80474100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7241358782515248,
2.9229041773255644,
5.772991913081171
],
[
4.859599075565692,
6.077071735712558,
4.606106636838436
],
[
2.4657195741434195,
5.498436284335598,
6.732540134335713
],
[
3.1180153796737966,
3.501539628702525,
3.6465584155838933
],
[
... | [
[
3.722490295431599,
0,
0.7868418376640662
],
[
1.8612446583856177,
8.999975913038122,
0.39342081539032847
],
[
0,
0,
9.19883589686521
]
] | [
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22,
22,
22,
82,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.727484 | 2.4721 | 0.003106 | 87 | 87 | [
"O",
"Pb",
"Ti"
] |
mp-1077392 | mp-1077392 | TmCuGe | # generated using pymatgen
data_TmCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19639057
_cell_length_b 4.19639057
_cell_length_c 7.28395700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000895
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19639057
_cell_length_b 4.19639057
_cell_length_c 7.28395700
_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,
3.6419785
],
[
0,
0,
0
],
[
2.098195001157809,
1.2113936672326036,
5.462967750000001
],
[
-3.03327363312608e-16,
2.4227873344652076,
1.8209892499999998
],
[
2.098195001157809,
1.2113936672326036,
1.82098925
],
[
-3.033273633... | [
[
4.196390002315618,
0,
1.1887405393910114e-15
],
[
-2.0981950011578094,
3.634181001697811,
2.5695481397613185e-16
],
[
0,
0,
7.283957
]
] | [
69,
69,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.666301 | 0 | 0 | 194 | 194 | [
"Cu",
"Ge",
"Tm"
] |
mp-1224087 | mp-1224087 | La3InPb4 | # generated using pymatgen
data_La3InPb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93726492
_cell_length_b 8.93726492
_cell_length_c 8.94403784
_cell_angle_alpha 60.39270139
_cell_angle_beta 60.39270139
_cell_angle_gamma 90.63862846
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La3InPb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.56856600
_cell_length_b 12.70944395
_cell_length_c 12.72848775
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.635214777958504,
2.487002855226836,
-3.6119531920499552
],
[
-0.48167447273279884,
4.836743790039942,
3.713269843249357
],
[
2.9211156205566327,
6.14786684525421,
-2.1525598129316466
],
[
2.227154479310059,
1.168390259515756,
2.2629193654884534
],
... | [
[
7.770344128492714,
0,
-4.415479178420099
],
[
-2.623659207581662,
7.31400439141741,
-4.415479178420099
],
[
0,
0,
8.94403784457091
]
] | [
57,
57,
57,
57,
57,
57,
49,
49,
82,
82,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.550083 | 0 | 0 | 42 | 42 | [
"In",
"La",
"Pb"
] |
mp-1095063 | mp-1095063 | YFeGe2 | # generated using pymatgen
data_YFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34982670
_cell_length_b 8.34982670
_cell_length_c 4.31784000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.80545224
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20870200
_cell_length_b 16.16060801
_cell_length_c 4.31784000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.645489918211569,
1.07946,
5.648154988677292
],
[
0.4273600771648531,
3.2383800000000003,
1.6409806826622912
],
[
2.795763077976196,
1.07946,
2.3853669912199735
],
[
1.2770869174002268,
3.2383800000000003,
4.903768680119611
],
[
2.21947924073040... | [
[
4.072849995376423,
0,
-1.0606910286604159
],
[
6.943616301679768e-16,
4.31784,
2.643914467615204e-16
],
[
0,
0,
8.3498267
]
] | [
39,
39,
26,
26,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.46387 | 0 | 0.072029 | 63 | 63 | [
"Fe",
"Ge",
"Y"
] |
mp-552176 | mp-552176 | Ba2PrNbO6 | # generated using pymatgen
data_Ba2PrNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13324662
_cell_length_b 6.13324662
_cell_length_c 6.13324745
_cell_angle_alpha 60.58974031
_cell_angle_beta 60.58974031
_cell_angle_gamma 60.58973557
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ba2PrNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18783643
_cell_length_b 6.18783643
_cell_length_c 14.95601863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7811867582574985,
1.265157209068746,
3.04876240559798
],
[
5.32123027561799,
3.779610876345696,
9.108066147821992
],
[
0,
0,
0
],
[
3.551208516937744,
2.522384042707221,
6.078414276709987
],
[
4.978169113258926,
3.9735115824766853,
6.07... | [
[
5.342829940618724,
0,
3.011790551709987
],
[
1.7595870932567637,
5.044768085414442,
3.011790551709987
],
[
0,
0,
6.13324745
]
] | [
56,
56,
59,
41,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.355112 | 3.0597 | 0.000763 | 148 | 148 | [
"Ba",
"Nb",
"O",
"Pr"
] |
mp-754828 | mp-754828 | Mn6O7F5 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68743315
_cell_length_b 4.68743315
_cell_length_c 9.22759955
_cell_angle_alpha 89.68740386
_cell_angle_beta 89.68740386
_cell_angle_gamma 86.18750760
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84587200
_cell_length_b 6.40485400
_cell_length_c 9.22759955
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.42807691
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.9379310700835015,
4.661681733068061,
1.6660924932189531
],
[
0.41485693359245995,
4.566570283346551,
4.639373495305657
],
[
0.019335703408069945,
0.05981881598830152,
7.612654497392361
],
[
2.4732839418635417,
2.366467905688909,
9.253173270305657
],
... | [
[
4.687363386867787,
0,
0.025573720305656644
],
[
0.3115393523125767,
4.676998904480234,
0.025573720305656644
],
[
0,
0,
9.22759955
]
] | [
25,
25,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.229259 | 0 | 0.060943 | 5 | 5 | [
"F",
"Mn",
"O"
] |
mp-558231 | mp-558231 | Ba3Ho2Cu2PtO10 | # generated using pymatgen
data_Ba3Ho2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94151505
_cell_length_b 6.94151505
_cell_length_c 7.48554518
_cell_angle_alpha 75.89043156
_cell_angle_beta 75.89043156
_cell_angle_gamma 49.91642641
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | # generated using pymatgen
data_Ba3Ho2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.58657401
_cell_length_b 5.85804400
_cell_length_c 7.48554518
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.59803340
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
2.929022001480454,
4.209626258913741,
2.28277703398146
],
[
0,
0,
0
],
[
2.858126519167223e-17,
1.851890289939423,
3.5105865859608856
],
[
5.593389628341486e-16,
3.7723605781125706,
-0.1120247140556808
],
[
2.929022001480454,
2.28915597074059... | [
[
5.858044002960908,
0,
3.5870174187452123e-16
],
[
-2.929022001480454,
6.061516548853165,
-1.6921815600576542
],
[
0,
0,
7.48554518
]
] | [
56,
56,
56,
67,
67,
29,
29,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.516224 | 0 | 0.025942 | 12 | 12 | [
"Ba",
"Cu",
"Ho",
"O",
"Pt"
] |
mp-15549 | mp-15549 | K2LiAlF6 | # generated using pymatgen
data_K2LiAlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.90805511
_cell_length_b 9.90805511
_cell_length_c 9.90805439
_cell_angle_alpha 33.52722989
_cell_angle_beta 33.52722989
_cell_angle_gamma 33.52723061
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2LiAlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71543784
_cell_length_b 5.71543784
_cell_length_c 28.02725949
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.727625911153275,
3.5070588457677108,
10.709719808211613
],
[
2.2329161181298613,
1.367227599256363,
2.4952698055305764
],
[
6.942571796204496,
4.250977317293731,
6.676369851825804
],
[
1.0179702330786395,
0.6233091277303434,
6.52861976191639
],
[
... | [
[
5.472548064417093,
0,
1.6484676118710955
],
[
2.4879939648660434,
4.874286445024073,
1.6484676118710955
],
[
0,
0,
9.90805439
]
] | [
19,
19,
19,
19,
3,
3,
13,
13,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.469923 | 7.2704 | 0.000116 | 166 | 166 | [
"Al",
"F",
"K",
"Li"
] |
mp-1222899 | mp-1222899 | LaCeB12 | # generated using pymatgen
data_LaCeB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85414836
_cell_length_b 5.85414836
_cell_length_c 5.85414836
_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_LaCeB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27901601
_cell_length_b 8.27901601
_cell_length_c 8.27901601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.379894131522005,
2.3899460600918285,
5.854148359999999
],
[
0,
0,
0
],
[
1.1817732232984053,
1.913639370099768,
2.04689126577728
],
[
4.561667354820412,
4.303585430191594,
7.901039625777279
],
[
2.7062947506861965,
1.9136393700997696,
2... | [
[
5.06984119728301,
0,
2.9270741799999995
],
[
1.6899470657610023,
4.779892120183655,
2.9270741799999995
],
[
0,
0,
5.85414836
]
] | [
57,
58,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.535824 | 0 | 0.003019 | 225 | 225 | [
"B",
"Ce",
"La"
] |
mp-1105156 | mp-1105156 | Eu2Si5Pt3 | # generated using pymatgen
data_Eu2Si5Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36855962
_cell_length_b 8.36855962
_cell_length_c 8.36855962
_cell_angle_alpha 137.33728956
_cell_angle_beta 105.07061576
_cell_angle_gamma 90.26555925
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Eu2Si5Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08831200
_cell_length_b 10.18072800
_cell_length_c 11.80747200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.814786462331749,
2.7967013074429117,
10.215605093486994
],
[
2.274749897624487,
4.913678649060364,
2.543548848360638
],
[
4.268801271206121,
6.908431047607326,
5.805889651965565
],
[
3.820735088750114,
0.8019489088959494,
6.953264289882067
],
[
... | [
[
5.671215734939308,
0,
2.2146907399812186
],
[
2.418320625016928,
7.710379956503275,
2.1759035811507874
],
[
0,
0,
8.368559620715626
]
] | [
63,
63,
63,
63,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.846618 | 0 | 0 | 72 | 72 | [
"Eu",
"Pt",
"Si"
] |
mp-1222726 | mp-1222726 | Li(TiTe2)2 | # generated using pymatgen
data_Li(TiTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98684066
_cell_length_b 7.98684066
_cell_length_c 6.67299828
_cell_angle_alpha 65.50671459
_cell_angle_beta 65.50671459
_cell_angle_gamma 28.10899690
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li(TiTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.49551199
_cell_length_b 3.87912400
_cell_length_c 6.67299828
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.30141236
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
0.7715249619971463,
1.4394188892241748,
3.0819263081135655
],
[
2.298907617997357,
4.593452111229205,
1.1963539439549598
],
[
3.137209636115233,
1.2778405052190318,
4.545027248178831
],
[
0.9065032773338054,
4.20629261477511,
... | [
[
3.763003106589743,
0,
-0.9420247399049121
],
[
-0.6925705265952402,
6.03287100045338,
-2.766535668026563
],
[
0,
0,
7.98684066
]
] | [
3,
22,
22,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.018033 | 0 | 0.004222 | 12 | 12 | [
"Li",
"Te",
"Ti"
] |
mp-1185898 | mp-1185898 | MgIn2 | # generated using pymatgen
data_MgIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93373116
_cell_length_b 5.93373116
_cell_length_c 5.02262500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.83724937
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94832200
_cell_length_b 10.26908600
_cell_length_c 5.02262500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.7669687499999998,
1.701710579395639,
0.9857082194416411
],
[
1.2556562499999997,
3.4454580852756487,
1.9957661399766518
],
[
1.25565625,
1.7639449957201796,
-0.899810405470712
],
[
3.7669687499999993,
5.0500724749809285,
1.0036641957101466
],
[
... | [
[
5.022625,
0,
3.075470814783737e-16
],
[
-3.151731814930624e-16,
5.1471686646712875,
-2.952256800581707
],
[
0,
0,
5.93373116
]
] | [
12,
12,
49,
49,
49,
49
] | [
1,
1,
1
] | -0.002372 | 0 | 0.060834 | 63 | 63 | [
"In",
"Mg"
] |
mp-20139 | mp-20139 | Mn3Ge | # generated using pymatgen
data_Mn3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65149800
_cell_length_b 3.65149800
_cell_length_c 3.65149800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | # generated using pymatgen
data_Mn3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65149800
_cell_length_b 3.65149800
_cell_length_c 3.65149800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
-1.1179488344482405e-16,
1.825749,
1.8257490000000003
],
[
1.8257489999999998,
1.825749,
2.235897668896481e-16
],
[
1.825749,
0,
1.8257490000000003
],
[
0,
0,
0
]
] | [
[
3.651498,
0,
2.235897668896481e-16
],
[
-2.235897668896481e-16,
3.651498,
2.235897668896481e-16
],
[
0,
0,
3.651498
]
] | [
25,
25,
25,
32
] | [
1,
1,
1
] | -0.03934 | 0 | 0.03577 | 221 | 221 | [
"Ge",
"Mn"
] |
mp-1207193 | mp-1207193 | CuTe2 | # generated using pymatgen
data_CuTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02348816
_cell_length_b 4.02348816
_cell_length_c 5.09807000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000257
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CuTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02348816
_cell_length_b 4.02348816
_cell_length_c 5.09807000
_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
],
[
7.314563755780163e-17,
2.322962002336173,
1.3886581892299998
],
[
2.0117440018527217,
1.1614810011680863,
3.7094118107700007
]
] | [
[
4.0234880037054435,
0,
1.1397613894606605e-15
],
[
-2.0117440018527217,
3.4844430035042593,
2.463675948275637e-16
],
[
0,
0,
5.09807
]
] | [
29,
52,
52
] | [
1,
1,
1
] | -0.282123 | 0 | 0 | 164 | 164 | [
"Cu",
"Te"
] |
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