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{
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{
"id": "mp-473",
"created_at": "2022-09-04T14:41:16.396153Z",
"structure_string": "Na12 P44\n1.0\n9.913741 0.000000 0.000000\n0.000000 10.632049 0.000000\n0.000000 0.000000 12.616773\nNa P\n12 44\ndirect\n0.000000 0.750000 0.748800 Na\n0.500000 0.250000 0.751200 Na\n0.000000 0.250000 0.251200 Na\n0.500000 0.750000 0.248800 Na\n0.753129 0.077444 0.992428 Na\n0.253129 0.922556 0.507572 Na\n0.746871 0.577444 0.507572 Na\n0.246871 0.422556 0.992428 Na\n0.246871 0.922556 0.007572 Na\n0.746871 0.077444 0.492428 Na\n0.253129 0.422556 0.492428 Na\n0.753129 0.577444 0.007572 Na\n0.000000 0.750000 0.502877 P\n0.500000 0.250000 0.997123 P\n0.000000 0.250000 0.497123 P\n0.500000 0.750000 0.002877 P\n0.691334 0.262638 0.232570 P\n0.191334 0.737362 0.267430 P\n0.808666 0.762638 0.267430 P\n0.308666 0.237362 0.232570 P\n0.308666 0.737362 0.767430 P\n0.808666 0.262638 0.732570 P\n0.191334 0.237362 0.732570 P\n0.691334 0.762638 0.767430 P\n0.603456 0.070134 0.200398 P\n0.103456 0.929866 0.299602 P\n0.896544 0.570134 0.299602 P\n0.396544 0.429866 0.200398 P\n0.396544 0.929866 0.799602 P\n0.896544 0.070134 0.700398 P\n0.103456 0.429866 0.700398 P\n0.603456 0.570134 0.799602 P\n0.583118 0.381711 0.112398 P\n0.083118 0.618289 0.387602 P\n0.916882 0.881711 0.387602 P\n0.416882 0.118289 0.112398 P\n0.416882 0.618289 0.887602 P\n0.916882 0.381711 0.612398 P\n0.083118 0.118289 0.612398 P\n0.583118 0.881711 0.887602 P\n0.586514 0.316451 0.385240 P\n0.086514 0.683549 0.114760 P\n0.913486 0.816451 0.114760 P\n0.413486 0.183549 0.385240 P\n0.413486 0.683549 0.614760 P\n0.913486 0.316451 0.885240 P\n0.086514 0.183549 0.885240 P\n0.586514 0.816451 0.614760 P\n0.023146 0.990950 0.147428 P\n0.523146 0.009050 0.352572 P\n0.476854 0.490950 0.352572 P\n0.976854 0.509050 0.147428 P\n0.976854 0.009050 0.852572 P\n0.476854 0.990950 0.647428 P\n0.523146 0.509050 0.647428 P\n0.023146 0.490950 0.852572 P\n",
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{
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"elements": [
"La",
"Sn"
],
"chemical_system": "La-Sn",
"density": 6.651458083649938,
"density_atomic": 0.03049977567116228,
"volume": 524.5940223464692,
"volume_molar": 19.744869027656392,
"formula_full": "La10 Sn6",
"formula_reduced": "La5Sn3",
"formula_anonymous": "A3B5",
"energy": -84.69169469,
"energy_per_atom": -5.293230918125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.69169469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.109406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.354000Z",
"spacegroup": 140
}
]
}