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{
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{
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{
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{
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"formula_anonymous": "ABC2",
"energy": -414.0902315400001,
"energy_per_atom": -6.470159867812502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -402.53823154,
"band_gap": 1.2564000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0040967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.333000Z",
"spacegroup": 61
},
{
"id": "mp-1182936",
"created_at": "2022-09-04T14:45:06.824170Z",
"structure_string": "Al16 Mo24\n1.0\n7.953335 0.000000 -4.338765\n0.000000 8.499890 0.000000\n0.407721 0.000000 9.299584\nAl Mo\n16 24\ndirect\n0.904140 0.561783 0.351148 Al\n0.595860 0.061783 0.648852 Al\n0.095860 0.438217 0.648852 Al\n0.404140 0.938217 0.351148 Al\n0.837194 0.129574 0.925488 Al\n0.662806 0.629574 0.074512 Al\n0.162806 0.870426 0.074512 Al\n0.337194 0.370426 0.925488 Al\n0.629190 0.101036 0.261718 Al\n0.870810 0.601036 0.738282 Al\n0.370810 0.898964 0.738282 Al\n0.129190 0.398964 0.261718 Al\n0.642997 0.490861 0.489379 Al\n0.857003 0.990861 0.510621 Al\n0.357003 0.509139 0.510621 Al\n0.142997 0.009139 0.489379 Al\n0.442455 0.256600 0.403630 Mo\n0.057545 0.756600 0.596370 Mo\n0.557545 0.743400 0.596370 Mo\n0.942455 0.243400 0.403630 Mo\n0.804088 0.336972 0.106836 Mo\n0.695912 0.836972 0.893164 Mo\n0.195912 0.663028 0.893164 Mo\n0.304088 0.163028 0.106836 Mo\n0.582083 0.404403 0.211560 Mo\n0.917917 0.904403 0.788440 Mo\n0.417917 0.595597 0.788440 Mo\n0.082083 0.095597 0.211560 Mo\n0.658328 0.753278 0.345867 Mo\n0.841672 0.253278 0.654133 Mo\n0.341672 0.246722 0.654133 Mo\n0.158328 0.746722 0.345867 Mo\n0.852979 0.903315 0.229549 Mo\n0.647021 0.403315 0.770451 Mo\n0.147021 0.096685 0.770451 Mo\n0.352979 0.596685 0.229549 Mo\n0.455560 0.863178 0.057709 Mo\n0.044440 0.363178 0.942291 Mo\n0.544440 0.136822 0.942291 Mo\n0.955560 0.636822 0.057709 Mo\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 7.053400707038112,
"density_atomic": 0.06213966510151433,
"volume": 643.7112259078656,
"volume_molar": 9.691299028023312,
"formula_full": "Al16 Mo24",
"formula_reduced": "Al2Mo3",
"formula_anonymous": "A2B3",
"energy": -315.31346722,
"energy_per_atom": -7.8828366805000005,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -315.31346722,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0040263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.924000Z",
"spacegroup": 14
}
]
}