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{
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"structure_string": "Li1 Pr2 Ge6\n1.0\n2.074155 -10.822856 0.000000\n2.074155 10.822856 0.000000\n0.000000 0.000000 4.297881\nLi Pr Ge\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.166356 0.833644 0.000000 Pr\n0.833644 0.166356 0.000000 Pr\n0.712815 0.287185 0.500000 Ge\n0.287185 0.712815 0.500000 Ge\n0.561184 0.438816 0.000000 Ge\n0.061296 0.938704 0.500000 Ge\n0.938704 0.061296 0.500000 Ge\n0.438816 0.561184 0.000000 Ge\n",
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{
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{
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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:49.471000Z",
"spacegroup": 191
},
{
"id": "mp-16479",
"created_at": "2022-09-04T14:42:50.745176Z",
"structure_string": "Yb2 S4\n1.0\n0.000000 3.917303 3.917303\n3.917303 0.000000 3.917303\n3.917303 3.917303 0.000000\nYb S\n2 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.125000 0.125000 0.625000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.551599718848554,
"density_atomic": 0.0499068040524313,
"volume": 120.22408795595275,
"volume_molar": 12.06677300688947,
"formula_full": "Yb2 S4",
"formula_reduced": "YbS2",
"formula_anonymous": "AB2",
"energy": -23.62673888,
"energy_per_atom": -3.9377898133333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -21.61473888,
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"updated_at": "2021-11-28T01:35:52.367000Z",
"spacegroup": 227
},
{
"id": "mp-1180276",
"created_at": "2022-09-04T14:42:40.086526Z",
"structure_string": "Mg1 V1 Cu3 Se4\n1.0\n5.778372 0.000000 0.000000\n0.000000 5.778372 0.000000\n0.000000 0.000000 5.778372\nMg V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.241691 0.241691 0.241691 Se\n0.758309 0.758309 0.241691 Se\n0.241691 0.758309 0.758309 Se\n0.758309 0.241691 0.758309 Se\n",
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"nelements": 4,
"elements": [
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"Cu",
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],
"chemical_system": "Cu-Mg-Se-V",
"density": 5.006681449010499,
"density_atomic": 0.04664724692385718,
"volume": 192.93743132774372,
"volume_molar": 12.909959659205628,
"formula_full": "Mg1 V1 Cu3 Se4",
"formula_reduced": "MgVCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -42.53923023,
"energy_per_atom": -4.726581136666667,
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"updated_at": "2021-11-28T01:35:49.401000Z",
"spacegroup": 215
}
]
}