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{
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{
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{
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{
"id": "mp-1105645",
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{
"id": "mp-1183018",
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"structure_string": "Ag6 Sb2 S6\n1.0\n3.912788 2.758444 1.070797\n-2.912259 2.937084 2.901061\n0.785428 -9.546827 10.486030\nAg Sb S\n6 2 6\ndirect\n0.678520 0.734768 0.130643 Ag\n0.547877 0.234768 0.869357 Ag\n0.136264 0.465840 0.501854 Ag\n0.092347 0.016397 0.679617 Ag\n0.412730 0.516397 0.320383 Ag\n0.634410 0.965840 0.498146 Ag\n0.148888 0.527167 0.057490 Sb\n0.091398 0.027167 0.942510 Sb\n0.632100 0.467180 0.493068 S\n0.139032 0.967180 0.506932 S\n0.073628 0.888102 0.256809 S\n0.146735 0.625246 0.798683 S\n0.348052 0.125246 0.201317 S\n0.816819 0.388102 0.743191 S\n",
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{
"id": "mp-555269",
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"structure_string": "Ag12 Sb4 S12\n1.0\n16.013594 0.000000 0.000000\n0.000000 6.400638 0.000000\n0.000000 3.126643 6.272732\nAg Sb S\n12 4 12\ndirect\n0.811074 0.710589 0.056984 Ag\n0.742992 0.310965 0.472946 Ag\n0.311074 0.789411 0.943016 Ag\n0.902057 0.467866 0.589685 Ag\n0.242992 0.189035 0.527054 Ag\n0.597943 0.967866 0.589685 Ag\n0.188926 0.289411 0.943016 Ag\n0.257008 0.689035 0.527054 Ag\n0.097943 0.532134 0.410315 Ag\n0.402057 0.032134 0.410315 Ag\n0.688926 0.210589 0.056984 Ag\n0.757008 0.810965 0.472946 Ag\n0.551883 0.672715 0.193161 Sb\n0.051883 0.827285 0.806839 Sb\n0.448117 0.327285 0.806839 Sb\n0.948117 0.172715 0.193161 Sb\n0.057419 0.231297 0.780736 S\n0.442581 0.731297 0.780736 S\n0.557419 0.268703 0.219264 S\n0.167106 0.625523 0.057111 S\n0.636644 0.555731 0.529111 S\n0.136644 0.944269 0.470889 S\n0.942581 0.768703 0.219264 S\n0.363356 0.444269 0.470889 S\n0.863356 0.055731 0.529111 S\n0.667106 0.874477 0.942889 S\n0.332894 0.125523 0.057111 S\n0.832894 0.374477 0.942889 S\n",
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{
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{
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"id": "mp-1237841",
"created_at": "2022-09-04T14:43:59.425756Z",
"structure_string": "Ag6 Se6 N2 O6\n1.0\n-2.939426 -5.091235 -1.562206\n-3.870728 5.628922 0.781103\n-1.791249 -3.102533 -13.032118\nAg Se N O\n6 6 2 6\ndirect\n0.896303 0.469268 0.913487 Ag\n0.805044 0.915713 0.573384 Ag\n0.927035 0.530732 0.413487 Ag\n0.458397 0.553804 0.887505 Ag\n0.389332 0.084287 0.073384 Ag\n0.404592 0.446196 0.387505 Ag\n0.979554 0.019791 0.778444 Se\n0.927932 0.772361 0.053726 Se\n0.459763 0.980209 0.278444 Se\n0.137480 0.278546 0.044509 Se\n0.655571 0.227639 0.553726 Se\n0.358934 0.721454 0.544509 Se\n0.034097 0.008916 0.959560 N\n0.525181 0.991084 0.459560 N\n0.932992 0.239215 0.769107 O\n0.728978 0.807362 0.751626 O\n0.193777 0.760785 0.269107 O\n0.799854 0.982686 0.945451 O\n0.421616 0.192638 0.251626 O\n0.317167 0.017314 0.445451 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Se",
"N",
"O"
],
"chemical_system": "Ag-N-O-Se",
"density": 4.720636281796984,
"density_atomic": 0.04566878023736736,
"volume": 437.9359355789295,
"volume_molar": 13.186559239593027,
"formula_full": "Ag6 Se6 N2 O6",
"formula_reduced": "Ag3Se3NO3",
"formula_anonymous": "AB3C3D3",
"energy": -88.66036527,
"energy_per_atom": -4.4330182635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.81636527,
"band_gap": 1.3087,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.566000Z",
"spacegroup": 9
}
]
}