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"id": "mp-778019",
"created_at": "2022-09-04T14:39:36.891483Z",
"structure_string": "Ag8 H64 O36\n1.0\n12.662524 0.000000 0.000000\n0.000000 6.650274 0.000000\n0.000000 2.912327 11.560722\nAg H O\n8 64 36\ndirect\n0.321221 0.583241 0.899909 Ag\n0.791249 0.593998 0.835120 Ag\n0.178779 0.583241 0.399909 Ag\n0.708751 0.593998 0.335120 Ag\n0.291249 0.406002 0.664880 Ag\n0.821221 0.416759 0.600091 Ag\n0.208751 0.406002 0.164880 Ag\n0.678779 0.416759 0.100091 Ag\n0.445836 0.967876 0.899099 H\n0.085849 0.984658 0.732321 H\n0.926558 0.845691 0.941799 H\n0.948329 0.896949 0.801818 H\n0.596278 0.781823 0.908976 H\n0.305089 0.877239 0.675141 H\n0.781013 0.889693 0.603580 H\n0.054164 0.967876 0.399099 H\n0.100595 0.904483 0.527430 H\n0.494395 0.861922 0.594615 H\n0.184793 0.801775 0.694461 H\n0.414151 0.984658 0.232321 H\n0.664367 0.779322 0.614766 H\n0.573442 0.845691 0.441799 H\n0.551671 0.896949 0.301818 H\n0.009162 0.663028 0.711485 H\n0.903722 0.781823 0.408976 H\n0.562231 0.576901 0.871142 H\n0.194911 0.877239 0.175141 H\n0.718987 0.889693 0.103580 H\n0.399405 0.904483 0.027430 H\n0.005605 0.861922 0.094615 H\n0.096353 0.478526 0.950179 H\n0.315207 0.801775 0.194461 H\n0.427403 0.662080 0.509676 H\n0.502290 0.569486 0.704019 H\n0.835633 0.779322 0.114766 H\n0.002290 0.430514 0.795981 H\n0.927403 0.337920 0.990324 H\n0.596353 0.521474 0.549821 H\n0.490838 0.663028 0.211485 H\n0.937769 0.576901 0.371142 H\n0.062231 0.423099 0.628858 H\n0.509162 0.336972 0.788515 H\n0.403647 0.478526 0.450179 H\n0.072597 0.662080 0.009676 H\n0.997710 0.569486 0.204019 H\n0.164367 0.220678 0.885234 H\n0.497710 0.430514 0.295981 H\n0.572597 0.337920 0.490324 H\n0.684793 0.198225 0.805539 H\n0.903647 0.521474 0.049821 H\n0.994395 0.138078 0.905385 H\n0.600595 0.095517 0.972570 H\n0.281013 0.110307 0.896420 H\n0.805089 0.122761 0.824859 H\n0.437769 0.423099 0.128858 H\n0.096278 0.218177 0.591024 H\n0.990838 0.336972 0.288515 H\n0.448329 0.103051 0.698182 H\n0.426558 0.154309 0.558201 H\n0.335633 0.220678 0.385234 H\n0.585849 0.015342 0.767679 H\n0.815207 0.198225 0.305539 H\n0.505605 0.138078 0.405385 H\n0.899405 0.095517 0.472570 H\n0.945836 0.032124 0.600901 H\n0.218987 0.110307 0.396420 H\n0.694911 0.122761 0.324859 H\n0.403722 0.218177 0.091024 H\n0.051671 0.103051 0.198182 H\n0.073442 0.154309 0.058201 H\n0.914151 0.015342 0.267679 H\n0.554164 0.032124 0.100901 H\n0.380363 0.916436 0.945422 O\n0.896812 0.913766 0.861557 O\n0.052464 0.918164 0.676836 O\n0.119637 0.916436 0.445422 O\n0.603188 0.913766 0.361557 O\n0.259558 0.754485 0.704704 O\n0.739979 0.763585 0.640224 O\n0.614690 0.634921 0.918441 O\n0.131137 0.591185 0.976411 O\n0.532933 0.749452 0.572114 O\n0.447536 0.918164 0.176836 O\n0.240442 0.754485 0.204704 O\n0.984687 0.517276 0.716795 O\n0.484687 0.482724 0.783205 O\n0.760021 0.763585 0.140224 O\n0.885310 0.634921 0.418441 O\n0.368863 0.591185 0.476411 O\n0.967067 0.749452 0.072114 O\n0.032933 0.250548 0.927886 O\n0.631137 0.408815 0.523589 O\n0.114690 0.365079 0.581559 O\n0.239979 0.236415 0.859776 O\n0.515313 0.517276 0.216795 O\n0.015313 0.482724 0.283205 O\n0.759558 0.245515 0.795296 O\n0.552464 0.081836 0.823164 O\n0.467067 0.250548 0.427886 O\n0.868863 0.408815 0.023589 O\n0.385310 0.365079 0.081559 O\n0.260021 0.236415 0.359776 O\n0.740442 0.245515 0.295296 O\n0.396812 0.086234 0.638443 O\n0.880363 0.083564 0.554578 O\n0.947536 0.081836 0.323164 O\n0.103188 0.086234 0.138443 O\n0.619637 0.083564 0.054578 O\n",
"nsites": 108,
"nelements": 3,
"elements": [
"Ag",
"H",
"O"
],
"chemical_system": "Ag-H-O",
"density": 2.5644140931167883,
"density_atomic": 0.1109376538299874,
"volume": 973.5197768425014,
"volume_molar": 5.428401045175308,
"formula_full": "Ag8 H64 O36",
"formula_reduced": "Ag2H16O9",
"formula_anonymous": "A2B9C16",
"energy": -536.51520832,
"energy_per_atom": -4.9677334103703705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.78320832,
"band_gap": 2.2358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.598000Z",
"spacegroup": 14
}
]
}