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{
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},
{
"id": "mp-1194921",
"created_at": "2022-09-04T14:45:42.561539Z",
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{
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"structure_string": "Na4 Mo8 P12 O52\n1.0\n22.695592 0.000000 0.000000\n0.000000 6.477170 0.000000\n0.000000 5.187220 7.098101\nNa Mo P O\n4 8 12 52\ndirect\n0.632631 0.965516 0.203811 Na\n0.132631 0.034484 0.296189 Na\n0.867369 0.965516 0.703811 Na\n0.367369 0.034484 0.796189 Na\n0.207666 0.745831 0.040549 Mo\n0.436476 0.448932 0.276994 Mo\n0.563524 0.551068 0.723006 Mo\n0.292334 0.745831 0.540549 Mo\n0.707666 0.254169 0.459451 Mo\n0.792334 0.254169 0.959451 Mo\n0.936476 0.551068 0.223006 Mo\n0.063524 0.448932 0.776994 Mo\n0.082880 0.528975 0.350150 P\n0.582880 0.471025 0.149850 P\n0.098684 0.020584 0.702224 P\n0.901316 0.979416 0.297776 P\n0.598684 0.979416 0.797776 P\n0.417120 0.528975 0.850150 P\n0.203216 0.359151 0.913867 P\n0.401316 0.020584 0.202224 P\n0.703216 0.640849 0.586133 P\n0.296784 0.359151 0.413867 P\n0.917120 0.471025 0.649850 P\n0.796784 0.640849 0.086133 P\n0.066237 0.814595 0.701554 O\n0.578393 0.367055 0.032846 O\n0.653390 0.548268 0.733293 O\n0.523603 0.513969 0.209998 O\n0.939328 0.720761 0.982835 O\n0.023603 0.486031 0.290002 O\n0.261166 0.489678 0.811423 O\n0.238834 0.489678 0.311423 O\n0.706682 0.935606 0.456922 O\n0.340857 0.942193 0.294428 O\n0.293318 0.064394 0.543078 O\n0.206682 0.064394 0.043078 O\n0.346610 0.451732 0.266707 O\n0.933763 0.185405 0.298446 O\n0.976397 0.513969 0.709998 O\n0.375368 0.681193 0.684371 O\n0.723712 0.181235 0.058183 O\n0.875368 0.318807 0.815629 O\n0.566237 0.185405 0.798446 O\n0.688927 0.576025 0.444375 O\n0.311073 0.423975 0.555625 O\n0.188927 0.423975 0.055625 O\n0.439328 0.279239 0.517165 O\n0.612127 0.757817 0.018312 O\n0.738834 0.510322 0.188577 O\n0.776288 0.181235 0.558183 O\n0.060672 0.279239 0.017165 O\n0.124632 0.681193 0.184371 O\n0.153390 0.451732 0.766707 O\n0.057709 0.132938 0.774466 O\n0.433763 0.814595 0.201554 O\n0.560672 0.720761 0.482835 O\n0.887873 0.757817 0.518312 O\n0.921607 0.367055 0.532846 O\n0.078393 0.632945 0.467154 O\n0.387873 0.242183 0.981688 O\n0.811073 0.576025 0.944375 O\n0.159143 0.942193 0.794428 O\n0.761166 0.510322 0.688577 O\n0.840857 0.057807 0.205572 O\n0.476397 0.486031 0.790002 O\n0.846610 0.548268 0.233293 O\n0.276288 0.818765 0.941817 O\n0.112127 0.242183 0.481688 O\n0.793318 0.935606 0.956922 O\n0.624632 0.318807 0.315629 O\n0.557709 0.867062 0.725534 O\n0.942291 0.867062 0.225534 O\n0.442291 0.132938 0.274466 O\n0.659143 0.057807 0.705572 O\n0.223712 0.818765 0.441817 O\n0.421607 0.632945 0.967154 O\n",
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{
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{
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"created_at": "2022-09-04T14:45:42.056492Z",
"structure_string": "Li2 V18 O44\n1.0\n3.680966 0.000000 0.000000\n0.000000 10.306631 0.000000\n0.000000 5.122223 21.200336\nLi V O\n2 18 44\ndirect\n0.250000 0.589125 0.486551 Li\n0.750000 0.410875 0.513449 Li\n0.250000 0.594805 0.025844 V\n0.750000 0.134136 0.092644 V\n0.250000 0.908937 0.059869 V\n0.250000 0.156060 0.285430 V\n0.750000 0.932640 0.253330 V\n0.250000 0.476479 0.311243 V\n0.750000 0.657231 0.364335 V\n0.250000 0.213349 0.430165 V\n0.750000 0.977982 0.404356 V\n0.250000 0.022018 0.595644 V\n0.750000 0.786651 0.569835 V\n0.250000 0.342769 0.635665 V\n0.750000 0.523521 0.688757 V\n0.250000 0.067360 0.746670 V\n0.750000 0.843940 0.714570 V\n0.750000 0.091063 0.940131 V\n0.250000 0.865864 0.907356 V\n0.750000 0.405195 0.974156 V\n0.750000 0.575623 0.003299 O\n0.250000 0.781904 0.007430 O\n0.250000 0.089999 0.081232 O\n0.750000 0.285569 0.101623 O\n0.750000 0.955201 0.044944 O\n0.250000 0.554759 0.100862 O\n0.750000 0.027763 0.173285 O\n0.250000 0.810932 0.128769 O\n0.250000 0.247093 0.215116 O\n0.250000 0.511745 0.236266 O\n0.750000 0.107829 0.302638 O\n0.750000 0.775777 0.250250 O\n0.250000 0.287713 0.333231 O\n0.250000 0.973708 0.267072 O\n0.750000 0.491710 0.332238 O\n0.250000 0.026565 0.393151 O\n0.250000 0.643264 0.340752 O\n0.750000 0.854416 0.356866 O\n0.750000 0.155910 0.426442 O\n0.250000 0.367577 0.441114 O\n0.750000 0.596490 0.443923 O\n0.250000 0.121952 0.522426 O\n0.750000 0.878048 0.477574 O\n0.250000 0.403510 0.556077 O\n0.750000 0.632423 0.558886 O\n0.250000 0.844090 0.573558 O\n0.250000 0.145584 0.643134 O\n0.750000 0.356736 0.659248 O\n0.750000 0.973435 0.606849 O\n0.250000 0.508290 0.667762 O\n0.750000 0.026292 0.732928 O\n0.750000 0.712287 0.666769 O\n0.250000 0.224223 0.749750 O\n0.250000 0.892171 0.697362 O\n0.750000 0.488255 0.763734 O\n0.750000 0.752907 0.784884 O\n0.750000 0.189068 0.871231 O\n0.250000 0.972237 0.826715 O\n0.750000 0.445241 0.899138 O\n0.250000 0.044799 0.955056 O\n0.250000 0.714431 0.898377 O\n0.750000 0.910001 0.918768 O\n0.750000 0.218096 0.992570 O\n0.250000 0.424377 0.996701 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.375150472654346,
"density_atomic": 0.07957171094111685,
"volume": 804.3059429419592,
"volume_molar": 7.568193128907824,
"formula_full": "Li2 V18 O44",
"formula_reduced": "LiV9O22",
"formula_anonymous": "AB9C22",
"energy": -532.4650529,
"energy_per_atom": -8.3197664515625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -471.6370529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0810054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.785000Z",
"spacegroup": 11
}
]
}