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{
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{
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{
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{
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{
"id": "mp-757815",
"created_at": "2022-09-04T14:42:29.335338Z",
"structure_string": "Li4 Cr3 Ni3 W2 O16\n1.0\n2.985767 5.124969 0.000000\n-2.985767 5.124969 0.000000\n0.000000 0.074220 9.652357\nLi Cr Ni W O\n4 3 3 2 16\ndirect\n0.335128 0.335128 0.906980 Li\n0.000558 0.000558 0.986857 Li\n0.999452 0.999452 0.491877 Li\n0.668775 0.668775 0.405550 Li\n0.167087 0.658803 0.214819 Cr\n0.658803 0.167087 0.214819 Cr\n0.824882 0.824882 0.722377 Cr\n0.169729 0.169729 0.214823 Ni\n0.339333 0.828850 0.711340 Ni\n0.828850 0.339333 0.711340 Ni\n0.330392 0.330392 0.487231 W\n0.660977 0.660977 0.989309 W\n0.166158 0.652431 0.590292 O\n0.480960 0.480960 0.343412 O\n0.336322 0.336322 0.107645 O\n0.996981 0.996981 0.305893 O\n0.990349 0.990349 0.796248 O\n0.652431 0.166158 0.590292 O\n0.039467 0.487468 0.349902 O\n0.487468 0.039467 0.349902 O\n0.827813 0.827813 0.093607 O\n0.170485 0.170485 0.584954 O\n0.535524 0.961771 0.849097 O\n0.961771 0.535524 0.849097 O\n0.679673 0.679673 0.610969 O\n0.341911 0.825628 0.087735 O\n0.522443 0.522443 0.853822 O\n0.825628 0.341911 0.087735 O\n",
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{
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"structure_string": "Hf2 Ni8 P4\n1.0\n0.000000 0.000000 3.552960\n6.924745 0.000000 0.000000\n0.000000 6.924745 0.000000\nHf Ni P\n2 8 4\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.166558 0.585197 Ni\n0.500000 0.833442 0.414803 Ni\n0.000000 0.333442 0.085197 Ni\n0.000000 0.666558 0.914803 Ni\n0.500000 0.585197 0.166558 Ni\n0.500000 0.414803 0.833442 Ni\n0.000000 0.085197 0.333442 Ni\n0.000000 0.914803 0.666558 Ni\n0.500000 0.717617 0.717617 P\n0.500000 0.282383 0.282383 P\n0.000000 0.782383 0.217617 P\n0.000000 0.217617 0.782383 P\n",
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{
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"structure_string": "Li12 V4 B8 O24\n1.0\n8.885947 0.000000 0.000000\n0.000000 5.202777 0.000000\n0.000000 5.038128 9.971384\nLi V B O\n12 4 8 24\ndirect\n0.973920 0.514816 0.330386 Li\n0.658532 0.452206 0.379089 Li\n0.985083 0.924523 0.898403 Li\n0.158532 0.547794 0.120911 Li\n0.485083 0.075477 0.601597 Li\n0.473920 0.485184 0.169614 Li\n0.526080 0.514816 0.830386 Li\n0.514917 0.924523 0.398403 Li\n0.841468 0.452206 0.879089 Li\n0.014917 0.075477 0.101597 Li\n0.341468 0.547794 0.620911 Li\n0.026080 0.485184 0.669614 Li\n0.325078 0.974637 0.878931 V\n0.825078 0.025363 0.621069 V\n0.174922 0.974637 0.378931 V\n0.674922 0.025363 0.121069 V\n0.322595 0.454953 0.378691 B\n0.664695 0.966585 0.869037 B\n0.822595 0.545047 0.121309 B\n0.164695 0.033415 0.630963 B\n0.835305 0.966585 0.369037 B\n0.177405 0.454953 0.878691 B\n0.335305 0.033415 0.130963 B\n0.677405 0.545047 0.621309 B\n0.329141 0.823025 0.086133 O\n0.667042 0.310299 0.593628 O\n0.948010 0.702340 0.118038 O\n0.025429 0.144622 0.641819 O\n0.292526 0.132800 0.667592 O\n0.682367 0.620574 0.152977 O\n0.182367 0.379426 0.347023 O\n0.792526 0.867200 0.832408 O\n0.525429 0.855378 0.858181 O\n0.448010 0.297660 0.381962 O\n0.829141 0.176975 0.413867 O\n0.167042 0.689701 0.906372 O\n0.832958 0.310299 0.093628 O\n0.170859 0.823025 0.586133 O\n0.551990 0.702340 0.618038 O\n0.474571 0.144622 0.141819 O\n0.207474 0.132800 0.167592 O\n0.817633 0.620574 0.652977 O\n0.317633 0.379426 0.847023 O\n0.707474 0.867200 0.332408 O\n0.974571 0.855378 0.358181 O\n0.051990 0.297660 0.881962 O\n0.332958 0.689701 0.406372 O\n0.670859 0.176975 0.913867 O\n",
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{
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"structure_string": "Y2 Co4 S8\n1.0\n-3.443118 3.791782 4.867006\n3.443118 -3.791782 4.867006\n3.443118 3.791782 -4.867006\nY Co S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.724864 0.272524 0.452339 S\n0.740173 0.711000 0.470827 S\n0.320185 0.272524 0.047661 S\n0.259827 0.730654 0.970827 S\n0.679815 0.727476 0.952339 S\n0.259827 0.289000 0.529173 S\n0.740173 0.269346 0.029173 S\n0.275136 0.727476 0.547661 S\n",
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{
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},
{
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"created_at": "2022-09-04T14:42:29.305424Z",
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"elements": [
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],
"chemical_system": "Mo-O-Zn",
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"volume": 178.70236502407244,
"volume_molar": 7.686934259427607,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy": -107.56099799,
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{
"id": "mp-683616",
"created_at": "2022-09-04T14:42:29.307244Z",
"structure_string": "Li5 Ti7 In1 P12 O48\n1.0\n8.635243 0.000000 0.000000\n-4.290080 7.511320 0.000000\n-4.297272 -2.505440 14.149442\nLi Ti In P O\n5 7 1 12 48\ndirect\n0.004457 0.009575 0.000351 Li\n0.001578 0.501754 0.500683 Li\n0.500364 0.751217 0.250117 Li\n0.492974 0.243654 0.745342 Li\n0.751027 0.570221 0.930569 Li\n0.857908 0.209416 0.072116 Ti\n0.645053 0.539082 0.183738 Ti\n0.857665 0.711202 0.570434 Ti\n0.639386 0.035099 0.675526 Ti\n0.358963 0.963125 0.321186 Ti\n0.141490 0.287096 0.428623 Ti\n0.348918 0.463254 0.818266 Ti\n0.150609 0.791995 0.929221 In\n0.251052 0.270784 0.230776 P\n0.960744 0.836294 0.375864 P\n0.554008 0.772290 0.023184 P\n0.459200 0.728625 0.478280 P\n0.037472 0.661799 0.128468 P\n0.247119 0.771098 0.723352 P\n0.749094 0.227587 0.270720 P\n0.948786 0.326711 0.875847 P\n0.540091 0.271057 0.519618 P\n0.464522 0.237334 0.982283 P\n0.040677 0.164085 0.624511 P\n0.743788 0.727936 0.768230 P\n0.804746 0.187414 0.188000 O\n0.622780 0.191561 0.002521 O\n0.996695 0.470148 0.098038 O\n0.690841 0.368985 0.251304 O\n0.518464 0.382262 0.063909 O\n0.086227 0.194966 0.136388 O\n0.881510 0.644870 0.165187 O\n0.416345 0.451742 0.223077 O\n0.943243 0.729748 0.458434 O\n0.808483 0.689636 0.689163 O\n0.770123 0.737559 0.294532 O\n0.625569 0.695062 0.500859 O\n0.575221 0.700533 0.117837 O\n0.270976 0.554978 0.470922 O\n0.999950 0.971788 0.597571 O\n0.680946 0.864222 0.742301 O\n0.745594 0.945121 0.031973 O\n0.443059 0.799876 0.383774 O\n0.501276 0.868934 0.558904 O\n0.231881 0.766802 0.206755 O\n0.084333 0.684936 0.627317 O\n0.876613 0.151426 0.652019 O\n0.024130 0.757733 0.042180 O\n0.413274 0.946822 0.711350 O\n0.584238 0.046375 0.279224 O\n0.940900 0.217340 0.957440 O\n0.125858 0.850492 0.347889 O\n0.916198 0.305938 0.364875 O\n0.765039 0.217259 0.790733 O\n0.498824 0.132762 0.437477 O\n0.557998 0.201913 0.614615 O\n0.269312 0.076504 0.974142 O\n0.306033 0.126317 0.251675 O\n0.004113 0.029211 0.403516 O\n0.729015 0.445358 0.527948 O\n0.465949 0.318013 0.889248 O\n0.375654 0.305990 0.498556 O\n0.229333 0.263273 0.709391 O\n0.194033 0.309698 0.312947 O\n0.059551 0.271886 0.542476 O\n0.581180 0.543788 0.778277 O\n0.125857 0.361504 0.850129 O\n0.894602 0.803429 0.867569 O\n0.513579 0.635757 0.939073 O\n0.304213 0.627101 0.750573 O\n0.960297 0.503794 0.902665 O\n0.397674 0.811451 0.010178 O\n0.191326 0.823935 0.799267 O\n",
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"density_atomic": 0.07954130631231345,
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"volume_molar": 7.571086067350316,
"formula_full": "Li5 Ti7 In1 P12 O48",
"formula_reduced": "Li5Ti7In(PO4)12",
"formula_anonymous": "AB5C7D12E48",
"energy": -585.49805045,
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"total_magnetization": 6.36e-05,
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"updated_at": "2021-11-28T01:35:52.253000Z",
"spacegroup": 1
}
]
}