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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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"spacegroup": 2
},
{
"id": "mp-540912",
"created_at": "2022-09-04T14:44:17.440336Z",
"structure_string": "As12 Ir4\n1.0\n-4.298002 4.298002 4.298002\n4.298002 -4.298002 4.298002\n4.298002 4.298002 -4.298002\nAs Ir\n12 4\ndirect\n0.854155 0.202009 0.347854 As\n0.652146 0.145845 0.797991 As\n0.506301 0.652146 0.854155 As\n0.652146 0.854155 0.506301 As\n0.493699 0.347854 0.145845 As\n0.347854 0.854155 0.202009 As\n0.202009 0.347854 0.854155 As\n0.797991 0.652146 0.145845 As\n0.347854 0.145845 0.493699 As\n0.854155 0.506301 0.652146 As\n0.145845 0.493699 0.347854 As\n0.145845 0.797991 0.652146 As\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Ir"
],
"chemical_system": "As-Ir",
"density": 8.721001425243674,
"density_atomic": 0.050380230666304864,
"volume": 317.58488971550236,
"volume_molar": 11.953380681973947,
"formula_full": "As12 Ir4",
"formula_reduced": "As3Ir",
"formula_anonymous": "AB3",
"energy": -98.12978712,
"energy_per_atom": -6.133111695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.12978712,
"band_gap": 0.0267999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.047000Z",
"spacegroup": 204
}
]
}