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{
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{
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{
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"formula_full": "Tb10 Si6 B2",
"formula_reduced": "Tb5Si3B",
"formula_anonymous": "AB3C5",
"energy": -101.0989929,
"energy_per_atom": -5.616610716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.5249929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.810000Z",
"spacegroup": 193
},
{
"id": "mp-1215372",
"created_at": "2022-09-04T14:41:59.556328Z",
"structure_string": "Zr8 Nb2 Al6\n1.0\n0.000000 0.000000 5.331632\n-5.485129 5.456406 2.665815\n-5.493295 -5.464330 -2.665815\nZr Nb Al\n8 2 6\ndirect\n0.925133 0.294280 0.144547 Zr\n0.074867 0.705720 0.855453 Zr\n0.720013 0.702503 0.142529 Zr\n0.279987 0.297497 0.857471 Zr\n0.778489 0.140434 0.697411 Zr\n0.221511 0.859566 0.302589 Zr\n0.249804 0.500000 0.500000 Zr\n0.750196 0.500000 0.500000 Zr\n0.422964 0.864460 0.710387 Nb\n0.577036 0.135540 0.289613 Nb\n0.252189 0.000000 0.000000 Al\n0.747811 0.000000 0.000000 Al\n0.339680 0.493525 0.172884 Al\n0.660320 0.506475 0.827116 Al\n0.832638 0.833738 0.499015 Al\n0.167362 0.166262 0.500985 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"Al"
],
"chemical_system": "Al-Nb-Zr",
"density": 5.598118798615595,
"density_atomic": 0.05006084068542005,
"volume": 319.6110928408742,
"volume_molar": 12.02964368465733,
"formula_full": "Zr8 Nb2 Al6",
"formula_reduced": "Zr4NbAl3",
"formula_anonymous": "AB3C4",
"energy": -116.29251577,
"energy_per_atom": -7.268282235625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.29251577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2720539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.073000Z",
"spacegroup": 12
}
]
}