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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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},
{
"id": "mp-10374",
"created_at": "2022-09-04T14:47:14.419512Z",
"structure_string": "Cr3 Pt1 N1\n1.0\n3.840440 0.000000 0.000000\n0.000000 3.840440 0.000000\n0.000000 0.000000 3.840440\nCr Pt N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Pt",
"N"
],
"chemical_system": "Cr-N-Pt",
"density": 10.702691233376289,
"density_atomic": 0.088272830182623,
"volume": 56.64257042235719,
"volume_molar": 6.822190641832954,
"formula_full": "Cr3 Pt1 N1",
"formula_reduced": "Cr3PtN",
"formula_anonymous": "ABC3",
"energy": -45.3279329,
"energy_per_atom": -9.06558658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.9669329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7401159,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.669000Z",
"spacegroup": 221
}
]
}