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{
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -78.77016943,
"band_gap": 2.1462000000000003,
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"updated_at": "2021-11-28T01:35:36.227000Z",
"spacegroup": 216
},
{
"id": "mp-1026891",
"created_at": "2022-09-04T14:41:53.934948Z",
"structure_string": "Sr1 Mg14 Cu1\n1.0\n6.575102 0.162584 0.000000\n-3.146749 5.450329 0.000000\n0.000000 0.000000 10.380612\nSr Mg Cu\n1 14 1\ndirect\n0.124505 0.812252 0.125000 Sr\n0.162409 0.331204 0.625000 Mg\n0.169257 0.834628 0.625000 Mg\n0.620437 0.320963 0.125000 Mg\n0.665864 0.327883 0.625000 Mg\n0.620437 0.799473 0.125000 Mg\n0.665864 0.837980 0.625000 Mg\n0.344495 0.177296 0.381477 Mg\n0.344495 0.177296 0.868523 Mg\n0.344495 0.667200 0.381477 Mg\n0.344495 0.667200 0.868523 Mg\n0.864495 0.182248 0.344390 Mg\n0.864495 0.182248 0.905610 Mg\n0.826288 0.663145 0.392610 Mg\n0.826288 0.663145 0.857390 Mg\n0.211683 0.355841 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Sr",
"density": 2.1627764367115287,
"density_atomic": 0.04240485154132482,
"volume": 377.3153169610207,
"volume_molar": 14.201537185270512,
"formula_full": "Sr1 Mg14 Cu1",
"formula_reduced": "SrMg14Cu",
"formula_anonymous": "ABC14",
"energy": -27.35705322,
"energy_per_atom": -1.70981582625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.35705322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.202000Z",
"spacegroup": 38
},
{
"id": "mp-1233218",
"created_at": "2022-09-04T14:41:53.427087Z",
"structure_string": "Sm4 Tm4 Mg1 O12\n1.0\n6.146132 0.000000 0.086153\n0.000000 8.448906 0.000000\n0.076288 0.000000 5.765002\nSm Tm Mg O\n4 4 1 12\ndirect\n0.155209 0.250000 0.936842 Sm\n0.426218 0.750000 0.477198 Sm\n0.558252 0.250000 0.562382 Sm\n0.938348 0.750000 0.028618 Sm\n0.989445 0.999873 0.499857 Tm\n0.989445 0.500127 0.499857 Tm\n0.487439 0.977121 0.992950 Tm\n0.487439 0.522879 0.992950 Tm\n0.735561 0.250000 0.069810 Mg\n0.050071 0.750000 0.637656 O\n0.189547 0.578560 0.190273 O\n0.189547 0.921440 0.190273 O\n0.305246 0.454737 0.672353 O\n0.305246 0.045263 0.672353 O\n0.436946 0.250000 0.197658 O\n0.569827 0.750000 0.844086 O\n0.694131 0.920787 0.294816 O\n0.694131 0.579213 0.294816 O\n0.807709 0.078367 0.829937 O\n0.807709 0.421633 0.829937 O\n0.922116 0.250000 0.347877 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Tm",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sm-Tm",
"density": 8.285632974723178,
"density_atomic": 0.07016136608862687,
"volume": 299.31002160751956,
"volume_molar": 8.583271814281545,
"formula_full": "Sm4 Tm4 Mg1 O12",
"formula_reduced": "Sm4Tm4MgO12",
"formula_anonymous": "AB4C4D12",
"energy": -171.43852704999998,
"energy_per_atom": -8.163739383333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.19452705,
"band_gap": 0.3997999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.360000Z",
"spacegroup": 6
}
]
}