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{
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{
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{
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"structure_string": "Zr1 Au1\n1.0\n3.092836 0.000000 0.000000\n0.000000 3.092836 0.000000\n0.000000 0.000000 4.156837\nZr Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Zr",
"density": 12.03516595589188,
"density_atomic": 0.05029828958864197,
"volume": 39.76278351325145,
"volume_molar": 11.972853966310378,
"formula_full": "Zr1 Au1",
"formula_reduced": "ZrAu",
"formula_anonymous": "AB",
"energy": -12.79047578,
"energy_per_atom": -6.39523789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79047578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0158535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.705000Z",
"spacegroup": 123
},
{
"id": "mp-1221420",
"created_at": "2022-09-04T14:41:46.762550Z",
"structure_string": "Mo1 Pt3\n1.0\n2.792869 0.000000 0.000000\n0.000000 4.564683 0.000000\n0.000000 0.000000 4.897808\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.158463 Mo\n0.500000 0.500000 0.337975 Pt\n0.500000 0.000000 0.656466 Pt\n0.000000 0.500000 0.847096 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 18.1157238490252,
"density_atomic": 0.06406149163573253,
"volume": 62.440007215955305,
"volume_molar": 9.400562812747465,
"formula_full": "Mo1 Pt3",
"formula_reduced": "MoPt3",
"formula_anonymous": "AB3",
"energy": -29.73734864,
"energy_per_atom": -7.43433716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.73734864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.200000Z",
"spacegroup": 25
}
]
}