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{
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"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.375122213406979,
"density_atomic": 0.04170437461961883,
"volume": 2397.8299857530383,
"volume_molar": 14.440069692753593,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -332.32259952,
"energy_per_atom": -3.3232259951999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.17259952,
"band_gap": 1.0240000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.585000Z",
"spacegroup": 1
},
{
"id": "mp-1245136",
"created_at": "2022-09-04T14:40:14.725989Z",
"structure_string": "Zn50 S50\n1.0\n13.923851 -0.358363 0.471870\n-0.437071 13.015052 0.539493\n0.493992 0.556074 13.178226\nZn S\n50 50\ndirect\n0.350620 0.392414 0.115478 Zn\n0.514781 0.342783 0.524600 Zn\n0.636280 0.315243 0.368056 Zn\n0.931539 0.967667 0.966483 Zn\n0.546715 0.162985 0.492606 Zn\n0.575353 0.552766 0.174849 Zn\n0.742735 0.896423 0.078680 Zn\n0.861406 0.325558 0.426491 Zn\n0.883005 0.926541 0.729605 Zn\n0.156555 0.801904 0.079412 Zn\n0.364558 0.076512 0.152944 Zn\n0.035718 0.314507 0.946473 Zn\n0.228260 0.540526 0.626841 Zn\n0.903450 0.756355 0.137867 Zn\n0.689625 0.509773 0.624524 Zn\n0.597065 0.379691 0.016070 Zn\n0.489264 0.804026 0.158422 Zn\n0.007758 0.071084 0.764016 Zn\n0.030160 0.320769 0.230927 Zn\n0.340216 0.650346 0.845807 Zn\n0.154239 0.986794 0.294331 Zn\n0.210664 0.770982 0.819750 Zn\n0.749732 0.477052 0.849578 Zn\n0.026305 0.108528 0.465440 Zn\n0.728353 0.553978 0.390823 Zn\n0.028669 0.663701 0.214548 Zn\n0.818158 0.089572 0.780778 Zn\n0.148653 0.431350 0.291483 Zn\n0.438793 0.499475 0.562115 Zn\n0.452206 0.212086 0.915918 Zn\n0.857961 0.881320 0.360851 Zn\n0.374477 0.302236 0.687258 Zn\n0.781688 0.119308 0.359641 Zn\n0.190109 0.078407 0.983639 Zn\n0.637756 0.764044 0.849732 Zn\n0.494413 0.943254 0.907786 Zn\n0.764947 0.736977 0.578455 Zn\n0.171445 0.695184 0.438867 Zn\n0.235317 0.412283 0.896733 Zn\n0.276658 0.190948 0.257809 Zn\n0.980699 0.680152 0.688533 Zn\n0.360487 0.902571 0.387011 Zn\n0.978951 0.292500 0.666051 Zn\n0.146947 0.929683 0.603838 Zn\n0.419992 0.894607 0.693111 Zn\n0.817235 0.375103 0.122741 Zn\n0.940312 0.503899 0.538629 Zn\n0.198401 0.652835 0.998742 Zn\n0.294913 0.138116 0.641207 Zn\n0.334386 0.560471 0.324641 Zn\n0.370758 0.053385 0.970250 S\n0.628348 0.144283 0.333612 S\n0.690239 0.460503 0.247293 S\n0.259912 0.926704 0.725150 S\n0.316866 0.382034 0.289110 S\n0.809110 0.066760 0.039699 S\n0.395755 0.069642 0.498861 S\n0.196959 0.877027 0.432364 S\n0.715900 0.084295 0.921751 S\n0.729070 0.390279 0.499252 S\n0.088697 0.472705 0.836290 S\n0.849141 0.543968 0.692785 S\n0.043548 0.719309 0.839713 S\n0.327075 0.471024 0.739215 S\n0.087128 0.598169 0.576515 S\n0.980137 0.402471 0.080257 S\n0.130624 0.957526 0.132886 S\n0.465244 0.279367 0.072191 S\n0.590668 0.851072 0.014864 S\n0.730504 0.171038 0.654612 S\n0.644380 0.642088 0.511273 S\n0.948764 0.231676 0.822650 S\n0.110985 0.153399 0.313521 S\n0.111519 0.109219 0.609653 S\n0.186397 0.256425 0.992478 S\n0.003329 0.343949 0.503856 S\n0.475171 0.651583 0.255574 S\n0.739627 0.833953 0.710798 S\n0.309511 0.524425 0.001985 S\n0.334156 0.618112 0.491297 S\n0.895651 0.603417 0.390338 S\n0.854705 0.805705 0.980223 S\n0.472983 0.774591 0.813414 S\n0.084403 0.987001 0.891989 S\n0.911933 0.741459 0.465990 S\n0.874569 0.020134 0.454479 S\n0.992684 0.851725 0.625579 S\n0.775174 0.814722 0.240761 S\n0.174092 0.620532 0.285765 S\n0.588917 0.448600 0.772534 S\n0.562751 0.553178 0.000041 S\n0.459810 0.926433 0.518310 S\n0.624291 0.063923 0.632369 S\n0.044353 0.582727 0.933059 S\n0.696873 0.619575 0.938145 S\n0.442051 0.943286 0.235077 S\n0.506466 0.055496 0.749154 S\n0.746805 0.340861 0.974354 S\n0.533538 0.294270 0.762429 S\n0.865404 0.263682 0.271801 S\n",
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"nelements": 2,
"elements": [
"Zn",
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],
"chemical_system": "S-Zn",
"density": 3.4023111105436876,
"density_atomic": 0.042040331625021306,
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"formula_full": "Zn50 S50",
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"updated_at": "2021-11-28T01:34:53.361000Z",
"spacegroup": 1
}
]
}