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{
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{
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"id": "mp-1042418",
"created_at": "2022-09-04T14:39:16.544553Z",
"structure_string": "Zn8 Ag8 Bi8 O40\n1.0\n5.335960 0.000000 0.000000\n0.000000 10.329525 0.000000\n0.000000 0.000000 15.443228\nZn Ag Bi O\n8 8 8 40\ndirect\n0.549982 0.371271 0.559147 Zn\n0.049982 0.128729 0.559147 Zn\n0.049982 0.628729 0.940853 Zn\n0.950018 0.371271 0.059147 Zn\n0.450018 0.128729 0.059147 Zn\n0.950018 0.871271 0.440853 Zn\n0.450018 0.628729 0.440853 Zn\n0.549982 0.871271 0.940853 Zn\n0.029441 0.384987 0.419497 Ag\n0.470559 0.884987 0.580503 Ag\n0.970559 0.615013 0.580503 Ag\n0.529441 0.115013 0.419497 Ag\n0.970559 0.115013 0.919497 Ag\n0.029441 0.884987 0.080503 Ag\n0.470559 0.384987 0.919497 Ag\n0.529441 0.615013 0.080503 Ag\n0.038816 0.855598 0.754665 Bi\n0.961184 0.144402 0.245335 Bi\n0.461184 0.355598 0.245335 Bi\n0.961184 0.644402 0.254665 Bi\n0.538816 0.144402 0.745335 Bi\n0.538816 0.644402 0.754665 Bi\n0.461184 0.855598 0.254665 Bi\n0.038816 0.355598 0.745335 Bi\n0.787301 0.300904 0.328071 O\n0.269504 0.975572 0.995345 O\n0.230496 0.475572 0.004655 O\n0.376587 0.809682 0.827392 O\n0.123413 0.309682 0.172608 O\n0.787301 0.800904 0.171929 O\n0.123413 0.809682 0.327392 O\n0.712699 0.800904 0.671929 O\n0.269504 0.475572 0.504655 O\n0.212699 0.699096 0.671929 O\n0.712699 0.300904 0.828071 O\n0.854440 0.280730 0.510453 O\n0.769504 0.024428 0.504655 O\n0.623413 0.690318 0.327392 O\n0.214749 0.000063 0.171218 O\n0.769504 0.524428 0.995345 O\n0.212699 0.199096 0.828071 O\n0.876587 0.190318 0.672608 O\n0.354440 0.719270 0.989547 O\n0.230496 0.975572 0.495345 O\n0.145560 0.719270 0.489547 O\n0.785251 0.999937 0.828782 O\n0.623413 0.190318 0.172608 O\n0.714749 0.999937 0.328782 O\n0.145560 0.219270 0.010453 O\n0.354440 0.219270 0.510453 O\n0.730496 0.524428 0.495345 O\n0.730496 0.024428 0.004655 O\n0.714749 0.499937 0.171218 O\n0.645560 0.780730 0.489547 O\n0.645560 0.280730 0.010453 O\n0.854440 0.780730 0.989547 O\n0.785251 0.499937 0.671218 O\n0.876587 0.690318 0.827392 O\n0.376587 0.309682 0.672608 O\n0.214749 0.500063 0.328782 O\n0.285251 0.500063 0.828782 O\n0.287301 0.199096 0.328071 O\n0.285251 0.000063 0.671218 O\n0.287301 0.699096 0.171929 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Zn",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O-Zn",
"density": 7.2142190735612255,
"density_atomic": 0.07518807644008506,
"volume": 851.1987941465629,
"volume_molar": 8.009435864207603,
"formula_full": "Zn8 Ag8 Bi8 O40",
"formula_reduced": "ZnAgBiO5",
"formula_anonymous": "ABCD5",
"energy": -324.2516294,
"energy_per_atom": -5.066431709375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.7716294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2038378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.229000Z",
"spacegroup": 61
}
]
}