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{
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{
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{
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"is_magnetic": true,
"total_magnetization": 0.0037473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.451000Z",
"spacegroup": 40
},
{
"id": "mp-24316",
"created_at": "2022-09-04T14:40:23.128134Z",
"structure_string": "Cd2 P4 H8 O8\n1.0\n2.776393 7.942246 0.000000\n-2.776393 7.942246 0.000000\n0.000000 1.312953 6.513824\nCd P H O\n2 4 8 8\ndirect\n0.171638 0.828362 0.250000 Cd\n0.828362 0.171638 0.750000 Cd\n0.819534 0.453345 0.290461 P\n0.546655 0.180466 0.209539 P\n0.180466 0.546655 0.709539 P\n0.453345 0.819534 0.790461 P\n0.896868 0.517022 0.391954 H\n0.482978 0.103132 0.108046 H\n0.103132 0.482978 0.608046 H\n0.517022 0.896868 0.891954 H\n0.950182 0.389379 0.093404 H\n0.610621 0.049818 0.406596 H\n0.049818 0.610621 0.906596 H\n0.389379 0.950182 0.593404 H\n0.311356 0.466722 0.229171 O\n0.533278 0.688644 0.270829 O\n0.206932 0.929576 0.899267 O\n0.070424 0.793068 0.600733 O\n0.793068 0.070424 0.100733 O\n0.929576 0.206932 0.399267 O\n0.466722 0.311356 0.729171 O\n0.688644 0.533278 0.770829 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"P",
"H",
"O"
],
"chemical_system": "Cd-H-O-P",
"density": 2.802203747316682,
"density_atomic": 0.0765830026034201,
"volume": 287.27001099611505,
"volume_molar": 7.863547465206148,
"formula_full": "Cd2 P4 H8 O8",
"formula_reduced": "CdP2(HO)4",
"formula_anonymous": "AB2C4D4",
"energy": -120.58057288,
"energy_per_atom": -5.480935130909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.65257287999998,
"band_gap": 4.3761,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.728000Z",
"spacegroup": 15
}
]
}