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{
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{
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{
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{
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{
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"structure_string": "Al18 Rh4\n1.0\n6.454694 0.000000 0.000000\n0.000000 6.369528 0.000000\n0.000000 0.756972 8.733202\nAl Rh\n18 4\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.605678 0.212179 0.959991 Al\n0.105678 0.787821 0.540009 Al\n0.521268 0.400097 0.230747 Al\n0.021268 0.599903 0.269253 Al\n0.478732 0.599903 0.769253 Al\n0.978732 0.400097 0.730747 Al\n0.303687 0.388245 0.502834 Al\n0.803687 0.611755 0.997166 Al\n0.696313 0.611755 0.497166 Al\n0.196313 0.388245 0.002834 Al\n0.213260 0.096358 0.272763 Al\n0.713260 0.903642 0.227237 Al\n0.786740 0.903642 0.727237 Al\n0.286740 0.096358 0.772763 Al\n0.894322 0.212179 0.459991 Al\n0.394322 0.787821 0.040009 Al\n0.622867 0.264237 0.668302 Rh\n0.122867 0.735763 0.831698 Rh\n0.377133 0.735763 0.331698 Rh\n0.877133 0.264237 0.168302 Rh\n",
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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-10910",
"created_at": "2022-09-04T14:44:12.369938Z",
"structure_string": "Al4 Ru2\n1.0\n0.000000 4.029420 4.420188\n2.370067 0.000000 4.420188\n2.370067 4.029420 0.000000\nAl Ru\n4 2\ndirect\n0.579071 0.920929 0.579071 Al\n0.920929 0.579071 0.920929 Al\n0.670929 0.329071 0.670929 Al\n0.329071 0.670929 0.329071 Al\n0.250000 0.250000 0.250000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 6.098591757456369,
"density_atomic": 0.0710685332649837,
"volume": 84.42554987913715,
"volume_molar": 8.473709085209416,
"formula_full": "Al4 Ru2",
"formula_reduced": "Al2Ru",
"formula_anonymous": "AB2",
"energy": -37.84412134,
"energy_per_atom": -6.3073535566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.84412134,
"band_gap": 0.0863999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017731,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.332000Z",
"spacegroup": 70
}
]
}