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{
"id": "mp-757468",
"created_at": "2022-09-04T14:43:21.046603Z",
"structure_string": "Li4 V4 P4 O20\n1.0\n6.029124 0.000000 0.000000\n0.000000 7.620786 0.000000\n0.000000 0.000000 7.856041\nLi V P O\n4 4 4 20\ndirect\n0.250000 0.135466 0.664918 Li\n0.750000 0.364534 0.164918 Li\n0.250000 0.635466 0.835082 Li\n0.750000 0.864534 0.335082 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.750000 0.134902 0.663852 P\n0.250000 0.365098 0.163852 P\n0.750000 0.634902 0.836148 P\n0.250000 0.865098 0.336148 P\n0.250000 0.004044 0.468636 O\n0.750000 0.111021 0.086405 O\n0.959805 0.132084 0.781715 O\n0.540195 0.132084 0.781715 O\n0.250000 0.172916 0.077252 O\n0.750000 0.327084 0.577252 O\n0.040195 0.367916 0.281715 O\n0.459805 0.367916 0.281715 O\n0.250000 0.388979 0.586405 O\n0.750000 0.495956 0.968636 O\n0.250000 0.504044 0.031364 O\n0.750000 0.611021 0.413595 O\n0.540195 0.632084 0.718285 O\n0.959805 0.632084 0.718285 O\n0.250000 0.672916 0.422748 O\n0.750000 0.827084 0.922748 O\n0.040195 0.867916 0.218285 O\n0.459805 0.867916 0.218285 O\n0.250000 0.888979 0.913595 O\n0.750000 0.995956 0.531364 O\n",
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{
"id": "mp-1175141",
"created_at": "2022-09-04T14:43:20.688340Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n4.936942 -0.104051 1.116106\n1.666320 7.498461 1.193529\n-4.321780 0.379533 10.698552\nLi Mn Co O\n14 8 2 24\ndirect\n0.083614 0.334078 0.086738 Li\n0.583069 0.332638 0.579908 Li\n0.833264 0.833369 0.333378 Li\n0.333321 0.833281 0.833306 Li\n0.585648 0.832343 0.082361 Li\n0.081009 0.834328 0.584292 Li\n0.674799 0.157139 0.167299 Li\n0.167131 0.153983 0.664039 Li\n0.499528 0.512695 0.002617 Li\n0.991920 0.509565 0.499344 Li\n0.263610 0.994645 0.250162 Li\n0.753493 0.992110 0.748607 Li\n0.403091 0.672142 0.416481 Li\n0.913172 0.674551 0.918080 Li\n0.008293 0.996117 0.998396 Mn\n0.495496 0.996911 0.501324 Mn\n0.171155 0.669850 0.165371 Mn\n0.658462 0.670432 0.668283 Mn\n0.915042 0.162851 0.414664 Mn\n0.420762 0.164984 0.917424 Mn\n0.751451 0.503932 0.252000 Mn\n0.245960 0.501582 0.749240 Mn\n0.833350 0.333275 0.833345 Co\n0.333270 0.333399 0.333336 Co\n0.744687 0.231450 0.994804 O\n0.240602 0.230474 0.496359 O\n0.426028 0.436268 0.170310 O\n0.922060 0.435100 0.671867 O\n0.685490 0.406682 0.406926 O\n0.190858 0.408988 0.906499 O\n0.981041 0.260112 0.259719 O\n0.475894 0.257532 0.760176 O\n0.318968 0.090844 0.064925 O\n0.819586 0.089827 0.565272 O\n0.847094 0.576897 0.101395 O\n0.347729 0.575740 0.601732 O\n0.057515 0.580335 0.333477 O\n0.567850 0.580888 0.821381 O\n0.609006 0.086468 0.333182 O\n0.098895 0.085633 0.845286 O\n0.503335 0.731191 0.249878 O\n0.990532 0.726300 0.748182 O\n0.163279 0.935597 0.416776 O\n0.676185 0.940219 0.918502 O\n0.948176 0.914631 0.151161 O\n0.437242 0.896561 0.673594 O\n0.229475 0.769969 0.993092 O\n0.718554 0.752097 0.515506 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
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{
"id": "mp-510430",
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"structure_string": "Li26 In6\n1.0\n0.000000 6.635082 6.635082\n6.635082 0.000000 6.635082\n6.635082 6.635082 0.000000\nLi In\n26 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.125000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.625000 0.125000 0.125000 Li\n0.125000 0.125000 0.125000 Li\n0.381160 0.856520 0.381160 Li\n0.868840 0.868840 0.393480 Li\n0.393480 0.868840 0.868840 Li\n0.868840 0.868840 0.868840 Li\n0.856520 0.381160 0.381160 Li\n0.381160 0.381160 0.381160 Li\n0.381160 0.381160 0.856520 Li\n0.868840 0.393480 0.868840 Li\n0.003201 0.003201 0.496799 Li\n0.753201 0.246799 0.246799 Li\n0.246799 0.753201 0.753201 Li\n0.753201 0.753201 0.246799 Li\n0.753201 0.246799 0.753201 Li\n0.246799 0.753201 0.246799 Li\n0.496799 0.003201 0.496799 Li\n0.496799 0.003201 0.003201 Li\n0.003201 0.496799 0.496799 Li\n0.003201 0.496799 0.003201 Li\n0.246799 0.246799 0.753201 Li\n0.496799 0.496799 0.003201 Li\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 In\n0.625000 0.125000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.125000 0.625000 0.625000 In\n0.625000 0.625000 0.625000 In\n",
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"elements": [
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"volume": 584.2098554443835,
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"formula_full": "Li26 In6",
"formula_reduced": "Li13In3",
"formula_anonymous": "A3B13",
"energy": -72.73591208,
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"updated_at": "2021-11-28T01:36:14.552000Z",
"spacegroup": 227
},
{
"id": "mp-752438",
"created_at": "2022-09-04T14:43:20.712998Z",
"structure_string": "Tl3 Sb8 O24\n1.0\n7.376777 0.000000 0.000000\n3.642893 6.423907 0.000000\n3.583390 2.102226 12.048824\nTl Sb O\n3 8 24\ndirect\n0.973045 0.379839 0.675132 Tl\n0.235122 0.105271 0.170215 Tl\n0.605397 0.733964 0.170733 Tl\n0.004048 0.504542 0.987479 Sb\n0.998406 0.000403 0.999371 Sb\n0.500666 0.498473 0.999318 Sb\n0.252449 0.749920 0.749062 Sb\n0.002930 0.997132 0.500098 Sb\n0.500031 0.501138 0.500317 Sb\n0.500563 0.996623 0.500306 Sb\n0.736636 0.236049 0.253833 Sb\n0.701927 0.619894 0.978060 O\n0.713272 0.213448 0.968877 O\n0.485913 0.586712 0.838491 O\n0.789469 0.889942 0.533433 O\n0.087696 0.983973 0.838750 O\n0.407693 0.917259 0.661761 O\n0.088819 0.588542 0.830572 O\n0.017292 0.917911 0.661073 O\n0.414264 0.516259 0.660946 O\n0.119052 0.202818 0.977343 O\n0.609949 0.712111 0.462685 O\n0.788178 0.285914 0.534488 O\n0.217338 0.715183 0.460753 O\n0.392892 0.287150 0.532945 O\n0.983485 0.094013 0.336402 O\n0.892802 0.779830 0.041324 O\n0.595067 0.481818 0.336618 O\n0.909221 0.408508 0.160519 O\n0.579141 0.079286 0.336428 O\n0.932070 0.015261 0.161669 O\n0.515383 0.431620 0.161745 O\n0.212370 0.109799 0.464482 O\n0.283673 0.783583 0.035162 O\n0.279884 0.392796 0.041179 O\n",
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"formula_full": "Tl3 Sb8 O24",
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{
"id": "mp-864897",
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"structure_string": "Zr2 Cu1 Os1\n1.0\n0.000000 3.286055 3.286055\n3.286055 0.000000 3.286055\n3.286055 3.286055 0.000000\nZr Cu Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
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"spacegroup": 225
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{
"id": "mp-1219496",
"created_at": "2022-09-04T14:43:20.728479Z",
"structure_string": "Sb8 Te4 Ru4\n1.0\n-4.658330 4.714724 4.724426\n4.658330 -4.714724 4.724426\n4.658330 4.714724 -4.724426\nSb Te Ru\n8 4 4\ndirect\n0.845855 0.339620 0.185475 Sb\n0.154145 0.660380 0.814525 Sb\n0.845855 0.660380 0.506235 Sb\n0.154145 0.339620 0.493765 Sb\n0.342041 0.187421 0.845380 Sb\n0.657959 0.812579 0.154620 Sb\n0.657959 0.503340 0.845380 Sb\n0.342041 0.496660 0.154620 Sb\n0.166724 0.840445 0.326279 Te\n0.833276 0.159555 0.673721 Te\n0.514165 0.840445 0.673721 Te\n0.485835 0.159555 0.326279 Te\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Mg3 H12 Se1 O9\n1.0\n8.910554 0.000000 0.000000\n1.273685 10.191565 0.000000\n4.074262 0.190310 9.815681\nMg H Se O\n3 12 1 9\ndirect\n0.898853 0.439915 0.956497 Mg\n0.992916 0.998203 0.480451 Mg\n0.484864 0.008579 0.510582 Mg\n0.921008 0.269165 0.092867 H\n0.869855 0.188035 0.793402 H\n0.698499 0.101865 0.153615 H\n0.515813 0.081012 0.191305 H\n0.696994 0.477064 0.206855 H\n0.967991 0.197393 0.639802 H\n0.541056 0.285719 0.286730 H\n0.933228 0.376389 0.726453 H\n0.578001 0.129169 0.976911 H\n0.540237 0.312848 0.428598 H\n0.945305 0.538047 0.700111 H\n0.664889 0.029073 0.865774 H\n0.014221 0.062019 0.975303 Se\n0.922213 0.048126 0.866964 O\n0.885353 0.030879 0.133210 O\n0.978335 0.258886 0.993534 O\n0.520941 0.356891 0.351350 O\n0.953703 0.465359 0.760833 O\n0.564699 0.088554 0.901300 O\n0.796888 0.494134 0.130856 O\n0.886999 0.251208 0.713732 O\n0.589050 0.149560 0.162965 O\n",
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{
"id": "mp-1235743",
"created_at": "2022-09-04T14:43:20.734648Z",
"structure_string": "K2 Li1 Nd4 Nb2 O12\n1.0\n5.829624 -0.017365 0.027010\n-2.941649 6.226542 -1.717925\n0.041446 0.028737 8.800648\nK Li Nd Nb O\n2 1 4 2 12\ndirect\n0.075606 0.220382 0.465870 K\n0.935077 0.804485 0.547936 K\n0.526427 0.489770 0.412596 Li\n0.146080 0.273898 0.938191 Nd\n0.583564 0.155747 0.187397 Nd\n0.420000 0.823825 0.794847 Nd\n0.869470 0.744850 0.065623 Nd\n0.667779 0.325261 0.704400 Nb\n0.321698 0.685621 0.285793 Nb\n0.004741 0.541560 0.825002 O\n0.207519 0.908166 0.289789 O\n0.250037 0.997657 0.991709 O\n0.795821 0.113379 0.709981 O\n0.676311 0.896984 0.284288 O\n0.760050 0.999542 0.989676 O\n0.329275 0.106076 0.711442 O\n0.988880 0.468045 0.163295 O\n0.683271 0.358103 0.495907 O\n0.352897 0.645514 0.499580 O\n0.451347 0.439178 0.198812 O\n0.537482 0.529737 0.837864 O\n",
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"formula_full": "K2 Li1 Nd4 Nb2 O12",
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{
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{
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{
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{
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"structure_string": "Ac2 Cu2 O4 F2\n1.0\n-2.823761 2.823761 4.088983\n2.823761 -2.823761 4.088983\n2.823761 2.823761 -4.088983\nAc Cu O F\n2 2 4 2\ndirect\n0.250000 0.750000 0.500000 Ac\n0.750000 0.250000 0.500000 Ac\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.295408 0.795408 0.090815 O\n0.795408 0.704592 0.500000 O\n0.704592 0.204592 0.909185 O\n0.204592 0.295408 0.500000 O\n0.250000 0.250000 0.000000 F\n0.750000 0.750000 0.000000 F\n",
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}