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{
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{
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{
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{
"id": "mp-755139",
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{
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{
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"structure_string": "Os2 N4 Cl10 O1\n1.0\n-3.660093 3.660093 8.469393\n3.660093 -3.660093 8.469393\n3.660093 3.660093 -8.469393\nOs N Cl O\n2 4 10 1\ndirect\n0.890483 0.890483 0.000000 Os\n0.109517 0.109517 0.000000 Os\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.756792 0.756792 0.000000 Cl\n0.243208 0.243208 0.000000 Cl\n0.113534 0.113534 0.445936 Cl\n0.667598 0.667598 0.554064 Cl\n0.113534 0.667598 0.000000 Cl\n0.667598 0.113534 0.000000 Cl\n0.886466 0.886466 0.554064 Cl\n0.332402 0.332402 0.445936 Cl\n0.886466 0.332402 0.000000 Cl\n0.332402 0.886466 0.000000 Cl\n0.000000 0.000000 0.000000 O\n",
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{
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"volume": 391.63213235978674,
"volume_molar": 14.740398920059917,
"formula_full": "Ag4 Sb4 S8",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy": -67.98939333,
"energy_per_atom": -4.249337083125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.96539333,
"band_gap": 1.3126999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.234000Z",
"spacegroup": 9
}
]
}