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{
"id": "mp-756139",
"created_at": "2022-09-04T14:39:49.244343Z",
"structure_string": "Ag4 Br4 O16\n1.0\n8.669935 0.000000 0.000000\n0.000000 5.844422 0.000000\n0.000000 5.470160 7.407385\nAg Br O\n4 4 16\ndirect\n0.533438 0.914488 0.335222 Ag\n0.033438 0.085512 0.164778 Ag\n0.966562 0.914488 0.835222 Ag\n0.466562 0.085512 0.664778 Ag\n0.686245 0.404217 0.840339 Br\n0.186245 0.595783 0.659661 Br\n0.813755 0.404217 0.340339 Br\n0.313755 0.595783 0.159661 Br\n0.776233 0.727632 0.282766 O\n0.621807 0.436305 0.657012 O\n0.849374 0.211316 0.905409 O\n0.055195 0.755881 0.497614 O\n0.555195 0.244119 0.002386 O\n0.349374 0.788684 0.594591 O\n0.121807 0.563695 0.842988 O\n0.723767 0.727632 0.782766 O\n0.276233 0.272368 0.217234 O\n0.878193 0.436305 0.157012 O\n0.650626 0.211316 0.405409 O\n0.444805 0.755881 0.997614 O\n0.944805 0.244119 0.502386 O\n0.150626 0.788684 0.094591 O\n0.378193 0.563695 0.342988 O\n0.223767 0.272368 0.717234 O\n",
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{
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"formula_full": "Ag1 Br1 O3",
"formula_reduced": "AgBrO3",
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"updated_at": "2021-11-28T01:36:36.701000Z",
"spacegroup": 160
},
{
"id": "mp-997047",
"created_at": "2022-09-04T14:41:13.685195Z",
"structure_string": "Ag2 Br2 O4\n1.0\n3.596241 0.000000 0.000000\n0.000000 4.215010 0.000000\n0.000000 1.087749 10.994881\nAg Br O\n2 2 4\ndirect\n0.750000 0.852496 0.905771 Ag\n0.250000 0.147504 0.094229 Ag\n0.750000 0.635479 0.159895 Br\n0.250000 0.364521 0.840105 Br\n0.750000 0.197778 0.525654 O\n0.250000 0.071621 0.419829 O\n0.750000 0.928379 0.580171 O\n0.250000 0.802222 0.474346 O\n",
"nsites": 8,
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"elements": [
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"density": 4.379369070653832,
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"volume": 166.66251476780144,
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"formula_full": "Ag2 Br2 O4",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:16.149000Z",
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},
{
"id": "mp-1096805",
"created_at": "2022-09-04T14:40:34.804960Z",
"structure_string": "Ag1 Br1 O2\n1.0\n4.556272 0.000000 0.000000\n-2.275020 -3.964296 0.000000\n-0.417148 0.184260 -6.536816\nAg Br O\n1 1 2\ndirect\n0.582728 0.679358 0.041630 Ag\n0.915688 0.344261 0.036566 Br\n0.263184 0.976853 0.549444 O\n0.953720 0.859837 0.531210 O\n",
"nsites": 4,
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"elements": [
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"density": 3.0908469769315117,
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"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
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"spacegroup": 1
},
{
"id": "mp-997048",
"created_at": "2022-09-04T14:43:12.265881Z",
"structure_string": "Ag2 Br2 O4\n1.0\n10.759145 2.507600 0.000000\n-10.759145 2.507600 0.000000\n0.000000 0.089466 3.617378\nAg Br O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.342460 0.657540 0.750000 Br\n0.657540 0.342460 0.250000 Br\n0.091990 0.153750 0.245750 O\n0.908010 0.846250 0.754250 O\n0.846250 0.908010 0.254250 O\n0.153750 0.091990 0.745750 O\n",
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"formula_full": "Ag2 Br2 O4",
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"updated_at": "2021-11-28T01:36:08.504000Z",
"spacegroup": 15
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{
"id": "mp-1060967",
"created_at": "2022-09-04T14:44:11.656243Z",
"structure_string": "Ag1 Br1\n1.0\n3.604067 0.000000 0.000000\n0.000000 3.604067 0.000000\n0.000000 0.000000 3.604067\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
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"density": 6.6604231893666155,
"density_atomic": 0.042721985449811054,
"volume": 46.814303664551375,
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"formula_full": "Ag1 Br1",
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"updated_at": "2021-11-28T01:36:30.389000Z",
"spacegroup": 221
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{
"id": "mp-866291",
"created_at": "2022-09-04T14:45:19.321105Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 3.164857 3.164857\n3.164857 0.000000 3.164857\n3.164857 3.164857 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 Br\n",
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"updated_at": "2021-11-28T01:37:03.380000Z",
"spacegroup": 216
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{
"id": "mp-570301",
"created_at": "2022-09-04T14:47:20.672871Z",
"structure_string": "Ag2 Br2\n1.0\n4.154709 0.000000 0.000000\n0.000000 4.112159 0.000000\n0.000000 0.117163 5.844617\nAg Br\n2 2\ndirect\n0.750000 0.791475 0.239883 Ag\n0.250000 0.208525 0.760117 Ag\n0.250000 0.276868 0.255405 Br\n0.750000 0.723132 0.744595 Br\n",
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"updated_at": "2021-11-28T01:38:06.915000Z",
"spacegroup": 11
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{
"id": "mp-23231",
"created_at": "2022-09-04T14:42:48.448871Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 2.925814 2.925814\n2.925814 0.000000 2.925814\n2.925814 2.925814 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
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{
"id": "mp-780275",
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"structure_string": "Ag2 B2 O6\n1.0\n5.478967 -2.448521 0.000000\n5.478967 2.448521 0.000000\n4.384737 0.000000 4.097368\nAg B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n0.967582 0.250000 0.532418 O\n0.467582 0.032418 0.750000 O\n0.750000 0.467582 0.032418 O\n0.250000 0.532418 0.967582 O\n0.532418 0.967582 0.250000 O\n0.032418 0.750000 0.467582 O\n",
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{
"id": "mp-985292",
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"structure_string": "Ag1 B1 O3\n1.0\n3.483287 0.000000 0.000000\n0.000000 3.483287 0.000000\n0.000000 0.000000 3.483287\nAg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-559803",
"created_at": "2022-09-04T14:40:30.230702Z",
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"nsites": 128,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 5.293435268272394,
"density_atomic": 0.08462499449289482,
"volume": 1512.5554898647229,
"volume_molar": 7.116267240059464,
"formula_full": "Ag32 B32 O64",
"formula_reduced": "AgBO2",
"formula_anonymous": "ABC2",
"energy": -862.4529827299999,
"energy_per_atom": -6.737913927578124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -818.48498273,
"band_gap": 1.2098999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.8375904,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.524000Z",
"spacegroup": 60
}
]
}