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[
0.5,
0.5,
0
],
[
0,
0,
0.26314523
],
[
0.5,
... | [
38,
38,
20,
20,
60,
60,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
[
5.81929913,
0,
3.563293026417739e-16
],
[
-3.563293026417739e-16,
5.81929913,
3.563293026417739e-16
],
[
0,
0,
8.44257099
]
] | {
"object": {
"material_id": "mp-1518993",
"formation_energy_per_atom": -2.9740798711666656,
"band_gap": 3.3892,
"pretty_formula": "SrCaNdSbO6",
"e_above_hull": 0.0530356574374986,
"elements": "['Ca', 'Nd', 'O', 'Sb', 'Sr']",
"spacegroup.number": 118
}
} |
[
[
0.5,
0.190281,
0.690281
],
[
0.5,
0.809719,
0.309719
],
[
0.190281,
0.5,
0.690281
],
[
0.809719,
0.5,
0.309719
],
[
0.139046,
0.139046,
0.278092
],
[
0.860954,
0.139046,
0
],
[
0.860954,
0.860954,
0.721908
... | [
19,
19,
19,
19,
29,
29,
29,
29,
8,
8,
8,
8
] | [
[
7.099308819203887,
0,
-1.073538262721797
],
[
-5.252497900625335,
4.7761335318804194,
-1.073538262721797
],
[
0,
0,
7.18001881
]
] | {
"object": {
"material_id": "mp-7911",
"formation_energy_per_atom": -1.2247965501666662,
"band_gap": 1.3559,
"pretty_formula": "KCuO",
"e_above_hull": 0,
"elements": "['K', 'Cu', 'O']",
"spacegroup.number": 139
}
} |
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.75,
0.75
]
] | [
61,
30,
80,
80
] | [
[
4.415118301716388,
0,
2.5490697400000006
],
[
1.4717061005721297,
4.162613454512655,
2.5490697400000006
],
[
0,
0,
5.09813948
]
] | {
"object": {
"material_id": "mp-1186678",
"formation_energy_per_atom": -0.336911024375,
"band_gap": 0,
"pretty_formula": "PmZnHg2",
"e_above_hull": 0.0168920716666667,
"elements": "['Hg', 'Pm', 'Zn']",
"spacegroup.number": 225
}
} |
[
[
0.25,
0.25,
0.25
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | [
63,
63,
31,
80
] | [
[
4.7043185392677795,
0,
2.7160395750000004
],
[
1.5681061797559266,
4.435274053303788,
2.7160395750000004
],
[
0,
0,
5.43207915
]
] | {
"object": {
"material_id": "mp-1183895",
"formation_energy_per_atom": -0.4880099331249994,
"band_gap": 0,
"pretty_formula": "Eu2GaHg",
"e_above_hull": 0.0195707315625002,
"elements": "['Eu', 'Ga', 'Hg']",
"spacegroup.number": 225
}
} |
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