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{
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"is_magnetic": false,
"total_magnetization": 0.0004626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.421000Z",
"spacegroup": 225
},
{
"id": "mp-2139",
"created_at": "2022-09-04T14:39:08.430242Z",
"structure_string": "Ba8 Ge16\n1.0\n6.877045 0.000000 0.000000\n0.000000 9.269929 0.000000\n0.000000 0.000000 11.729169\nBa Ge\n8 16\ndirect\n0.250000 0.847479 0.906709 Ba\n0.750000 0.152521 0.093291 Ba\n0.250000 0.347479 0.593291 Ba\n0.750000 0.652521 0.406709 Ba\n0.250000 0.014300 0.309398 Ba\n0.750000 0.985700 0.690602 Ba\n0.250000 0.514300 0.190602 Ba\n0.750000 0.485700 0.809398 Ba\n0.562521 0.808024 0.149691 Ge\n0.062521 0.191976 0.850309 Ge\n0.937479 0.308024 0.350309 Ge\n0.437479 0.691976 0.649691 Ge\n0.437479 0.191976 0.850309 Ge\n0.937479 0.808024 0.149691 Ge\n0.062521 0.691976 0.649691 Ge\n0.562521 0.308024 0.350309 Ge\n0.750000 0.076889 0.407155 Ge\n0.250000 0.923111 0.592845 Ge\n0.750000 0.576889 0.092845 Ge\n0.250000 0.423111 0.907155 Ge\n0.750000 0.304893 0.540671 Ge\n0.250000 0.695107 0.459329 Ge\n0.750000 0.804893 0.959329 Ge\n0.250000 0.195107 0.040671 Ge\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.020841151455595,
"density_atomic": 0.03209709471964431,
"volume": 747.7312264437235,
"volume_molar": 18.76226123454807,
"formula_full": "Ba8 Ge16",
"formula_reduced": "BaGe2",
"formula_anonymous": "AB2",
"energy": -102.04640115,
"energy_per_atom": -4.25193338125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.04640115,
"band_gap": 0.5255000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048329,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.978000Z",
"spacegroup": 62
}
]
}