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{
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"structure_string": "Ag12 S16 O48 F16\n1.0\n13.319759 0.000000 0.000000\n0.000000 5.446829 0.000000\n0.000000 3.604389 19.912835\nAg S O F\n12 16 48 16\ndirect\n0.432442 0.205688 0.050488 Ag\n0.932442 0.794312 0.449512 Ag\n0.567558 0.794312 0.949512 Ag\n0.067558 0.205688 0.550488 Ag\n0.364683 0.250544 0.555776 Ag\n0.864683 0.749456 0.944224 Ag\n0.635317 0.749456 0.444224 Ag\n0.135317 0.250544 0.055776 Ag\n0.982898 0.974741 0.761155 Ag\n0.482898 0.025259 0.738845 Ag\n0.017102 0.025259 0.238845 Ag\n0.517102 0.974741 0.261155 Ag\n0.727561 0.033120 0.779199 S\n0.227561 0.966880 0.720801 S\n0.272439 0.966880 0.220801 S\n0.772439 0.033120 0.279199 S\n0.966880 0.614065 0.649838 S\n0.466880 0.385935 0.850162 S\n0.033120 0.385935 0.350162 S\n0.533120 0.614065 0.149838 S\n0.507312 0.671228 0.616582 S\n0.007312 0.328772 0.883418 S\n0.492688 0.328772 0.383418 S\n0.992688 0.671228 0.116582 S\n0.219997 0.770820 0.493341 S\n0.719997 0.229180 0.006659 S\n0.780003 0.229180 0.506659 S\n0.280003 0.770820 0.993341 S\n0.821219 0.012350 0.742627 O\n0.321219 0.987650 0.757373 O\n0.178781 0.987650 0.257373 O\n0.678781 0.012350 0.242627 O\n0.712884 0.865968 0.842092 O\n0.212884 0.134032 0.657908 O\n0.287116 0.134032 0.157908 O\n0.787116 0.865968 0.342092 O\n0.645839 0.054169 0.729843 O\n0.145839 0.945831 0.770157 O\n0.354161 0.945831 0.270157 O\n0.854161 0.054169 0.229843 O\n0.989843 0.874347 0.657341 O\n0.489843 0.125653 0.842659 O\n0.010157 0.125653 0.342659 O\n0.510157 0.874347 0.157341 O\n0.999910 0.565841 0.584727 O\n0.499910 0.434159 0.915273 O\n0.000090 0.434159 0.415273 O\n0.500090 0.565841 0.084727 O\n0.991449 0.430883 0.707955 O\n0.491449 0.569117 0.792045 O\n0.008551 0.569117 0.292045 O\n0.508551 0.430883 0.207955 O\n0.474084 0.905257 0.637705 O\n0.974084 0.094743 0.862295 O\n0.525916 0.094743 0.362295 O\n0.025916 0.905257 0.137705 O\n0.523920 0.702546 0.545090 O\n0.023920 0.297454 0.954910 O\n0.476080 0.297454 0.454910 O\n0.976080 0.702546 0.045090 O\n0.450477 0.450228 0.646169 O\n0.950477 0.549772 0.853831 O\n0.549523 0.549772 0.353831 O\n0.049523 0.450228 0.146169 O\n0.293732 0.866747 0.534801 O\n0.793732 0.133253 0.965199 O\n0.706268 0.133253 0.465199 O\n0.206268 0.866747 0.034801 O\n0.123799 0.903949 0.485580 O\n0.623799 0.096051 0.014420 O\n0.876201 0.096051 0.514420 O\n0.376201 0.903949 0.985580 O\n0.211409 0.497982 0.507050 O\n0.711409 0.502018 0.992950 O\n0.788591 0.502018 0.492950 O\n0.288591 0.497982 0.007050 O\n0.733913 0.303416 0.799426 F\n0.233913 0.696584 0.700574 F\n0.266087 0.696584 0.200574 F\n0.766087 0.303416 0.299426 F\n0.847481 0.610031 0.645198 F\n0.347481 0.389969 0.854802 F\n0.152519 0.389969 0.354802 F\n0.652519 0.610031 0.145198 F\n0.616293 0.626761 0.649582 F\n0.116293 0.373239 0.850418 F\n0.383707 0.373239 0.350418 F\n0.883707 0.626761 0.149582 F\n0.266162 0.828962 0.419281 F\n0.766162 0.171038 0.080719 F\n0.733838 0.171038 0.580719 F\n0.233838 0.828962 0.919281 F\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"O",
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],
"chemical_system": "Ag-F-O-S",
"density": 3.3096228443256432,
"density_atomic": 0.06368169642343961,
"volume": 1444.6851319453408,
"volume_molar": 9.45662741136306,
"formula_full": "Ag12 S16 O48 F16",
"formula_reduced": "Ag3S4(O3F)4",
"formula_anonymous": "A3B4C4D12",
"energy": -519.1669643700001,
"energy_per_atom": -5.643119177934784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -478.7989643700001,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.1339013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.174000Z",
"spacegroup": 14
},
{
"id": "mp-1215080",
"created_at": "2022-09-04T14:39:07.800906Z",
"structure_string": "Ag12 S1 Br1\n1.0\n19.427257 0.000000 0.000000\n0.000000 19.427257 0.000000\n0.000000 0.000000 19.427257\nAg S Br\n12 1 1\ndirect\n0.097807 0.500000 0.000000 Ag\n0.902193 0.500000 0.000000 Ag\n0.000000 0.097807 0.500000 Ag\n0.500000 0.097807 0.000000 Ag\n0.000000 0.902193 0.500000 Ag\n0.500000 0.902193 0.000000 Ag\n0.500000 0.000000 0.097807 Ag\n0.097807 0.000000 0.500000 Ag\n0.500000 0.000000 0.902193 Ag\n0.902193 0.000000 0.500000 Ag\n0.000000 0.500000 0.097807 Ag\n0.000000 0.500000 0.902193 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ag-Br-S",
"density": 0.31850745949852477,
"density_atomic": 0.0019093853207317948,
"volume": 7332.202593154079,
"volume_molar": 315.39682926293483,
"formula_full": "Ag12 S1 Br1",
"formula_reduced": "Ag12SBr",
"formula_anonymous": "ABC12",
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"updated_at": "2021-11-28T01:34:30.016000Z",
"spacegroup": 221
}
]
}