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{
"id": "mp-558637",
"created_at": "2022-09-04T14:42:00.760889Z",
"structure_string": "Ag8 Te8 O24\n1.0\n11.826693 0.000000 0.000000\n0.000000 6.024564 0.000000\n0.000000 4.465862 8.067660\nAg Te O\n8 8 24\ndirect\n0.673402 0.428131 0.723435 Ag\n0.645109 0.607509 0.969552 Ag\n0.826598 0.428131 0.223435 Ag\n0.145109 0.392491 0.530448 Ag\n0.173402 0.571869 0.776565 Ag\n0.354891 0.392491 0.030448 Ag\n0.854891 0.607509 0.469552 Ag\n0.326598 0.571869 0.276565 Ag\n0.623313 0.091484 0.508165 Te\n0.075841 0.065941 0.313800 Te\n0.575841 0.934059 0.186200 Te\n0.123313 0.908516 0.991835 Te\n0.924159 0.934059 0.686200 Te\n0.424159 0.065941 0.813800 Te\n0.876687 0.091484 0.008165 Te\n0.376687 0.908516 0.491835 Te\n0.958073 0.231529 0.483752 O\n0.147097 0.857644 0.224187 O\n0.462808 0.226827 0.444987 O\n0.037192 0.226827 0.944987 O\n0.087685 0.976767 0.763122 O\n0.852903 0.142356 0.775813 O\n0.314644 0.585150 0.561329 O\n0.412315 0.976767 0.263122 O\n0.741020 0.887117 0.088396 O\n0.587685 0.023233 0.736878 O\n0.758980 0.887117 0.588396 O\n0.458073 0.768471 0.016248 O\n0.041927 0.768471 0.516248 O\n0.258980 0.112883 0.911604 O\n0.185356 0.585150 0.061329 O\n0.962808 0.773173 0.055013 O\n0.541927 0.231529 0.983752 O\n0.685356 0.414850 0.438671 O\n0.647097 0.142356 0.275813 O\n0.912315 0.023233 0.236878 O\n0.352903 0.857644 0.724187 O\n0.814644 0.414850 0.938671 O\n0.537192 0.773173 0.555013 O\n0.241020 0.112883 0.411604 O\n",
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{
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"structure_string": "Mg6 Cd1 Ni1 O8\n1.0\n8.681451 -0.000000 0.000000\n0.000000 4.349514 0.000000\n0.000000 0.000000 4.349514\nMg Cd Ni O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.242696 -0.000000 0.500000 Mg\n0.757304 0.000000 0.500000 Mg\n0.242696 0.500000 0.000000 Mg\n0.757304 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Ni\n0.233076 -0.000000 -0.000000 O\n0.766924 0.000000 0.000000 O\n0.249477 0.500000 0.500000 O\n0.750523 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"density": 4.49848847510175,
"density_atomic": 0.09741956772905164,
"volume": 164.23805168690578,
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"formula_full": "Mg6 Cd1 Ni1 O8",
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},
{
"id": "mp-1215930",
"created_at": "2022-09-04T14:42:00.926645Z",
"structure_string": "Y1 Bi1 Te3\n1.0\n10.613741 -2.203664 0.000000\n10.613741 2.203664 0.000000\n10.156208 0.000000 3.789336\nY Bi Te\n1 1 3\ndirect\n0.601518 0.601518 0.601518 Y\n0.399275 0.399275 0.399275 Bi\n0.996310 0.996310 0.996310 Te\n0.786380 0.786380 0.786380 Te\n0.216516 0.216516 0.216516 Te\n",
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{
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"structure_string": "Re4 Bi36 O68\n1.0\n20.127476 0.000000 0.000000\n0.000000 10.091934 0.000000\n0.000000 6.799844 9.672755\nRe Bi O\n4 36 68\ndirect\n0.939682 0.364660 0.680425 Re\n0.439682 0.635340 0.819575 Re\n0.060318 0.635340 0.319575 Re\n0.560318 0.364660 0.180425 Re\n0.752167 0.916526 0.904276 Bi\n0.252167 0.083474 0.595724 Bi\n0.247833 0.083474 0.095724 Bi\n0.747833 0.916526 0.404276 Bi\n0.774066 0.392381 0.185526 Bi\n0.274066 0.607619 0.314474 Bi\n0.225934 0.607619 0.814474 Bi\n0.725934 0.392381 0.685526 Bi\n0.553098 0.899798 0.935527 Bi\n0.053098 0.100202 0.564473 Bi\n0.446902 0.100202 0.064473 Bi\n0.946902 0.899798 0.435527 Bi\n0.946422 0.861641 0.939465 Bi\n0.446422 0.138359 0.560535 Bi\n0.053578 0.138359 0.060535 Bi\n0.553578 0.861641 0.439465 Bi\n0.950499 0.379657 0.173761 Bi\n0.450499 0.620343 0.326239 Bi\n0.049501 0.620343 0.826239 Bi\n0.549501 0.379657 0.673761 Bi\n0.147060 0.916827 0.891173 Bi\n0.647060 0.083173 0.608827 Bi\n0.852940 0.083173 0.108827 Bi\n0.352940 0.916827 0.391173 Bi\n0.344516 0.893825 0.945477 Bi\n0.844516 0.106175 0.554523 Bi\n0.655484 0.106175 0.054523 Bi\n0.155484 0.893825 0.445477 Bi\n0.342355 0.337882 0.694790 Bi\n0.842355 0.662118 0.805210 Bi\n0.657645 0.662118 0.305210 Bi\n0.157645 0.337882 0.194790 Bi\n0.166340 0.372825 0.692168 Bi\n0.666340 0.627175 0.807832 Bi\n0.833660 0.627175 0.307832 Bi\n0.333660 0.372825 0.192168 Bi\n0.604305 0.542789 0.126364 O\n0.104305 0.457211 0.373636 O\n0.395695 0.457211 0.873636 O\n0.895695 0.542789 0.626364 O\n0.953631 0.354933 0.538807 O\n0.453631 0.645067 0.961193 O\n0.046369 0.645067 0.461193 O\n0.546369 0.354933 0.038807 O\n0.985244 0.643061 0.240596 O\n0.485244 0.356939 0.259404 O\n0.014756 0.356939 0.759404 O\n0.514756 0.643061 0.740596 O\n0.390707 0.802516 0.697190 O\n0.890707 0.197484 0.802810 O\n0.609293 0.197484 0.302810 O\n0.109293 0.802516 0.197190 O\n0.742580 0.552020 0.259096 O\n0.242580 0.447980 0.240904 O\n0.257420 0.447980 0.740904 O\n0.757420 0.552020 0.759096 O\n0.749310 0.091938 0.670778 O\n0.249310 0.908062 0.829222 O\n0.250690 0.908062 0.329222 O\n0.750690 0.091938 0.170778 O\n0.863814 0.476844 0.225589 O\n0.363814 0.523156 0.274411 O\n0.136186 0.523156 0.774411 O\n0.636186 0.476844 0.725589 O\n0.634136 0.326611 0.597224 O\n0.134136 0.673389 0.902776 O\n0.365864 0.673389 0.402776 O\n0.865864 0.326611 0.097224 O\n0.743386 0.685855 0.401355 O\n0.243386 0.314145 0.098645 O\n0.256614 0.314145 0.598645 O\n0.756614 0.685855 0.901355 O\n0.772006 0.167807 0.390188 O\n0.272006 0.832193 0.109812 O\n0.227994 0.832193 0.609812 O\n0.727994 0.167807 0.890188 O\n0.938895 0.115245 0.426801 O\n0.438895 0.884755 0.073199 O\n0.061105 0.884755 0.573199 O\n0.561105 0.115245 0.926801 O\n0.534075 0.631236 0.479538 O\n0.034075 0.368764 0.020462 O\n0.465925 0.368764 0.520462 O\n0.965925 0.631236 0.979538 O\n0.852803 0.914805 0.333103 O\n0.352803 0.085195 0.166897 O\n0.147197 0.085195 0.666897 O\n0.647197 0.914805 0.833103 O\n0.657585 0.850443 0.612206 O\n0.157585 0.149557 0.887794 O\n0.342415 0.149557 0.387794 O\n0.842415 0.850443 0.112206 O\n0.632757 0.893159 0.308216 O\n0.132757 0.106841 0.191784 O\n0.367243 0.106841 0.691784 O\n0.867243 0.893159 0.808216 O\n0.835106 0.870362 0.590565 O\n0.335106 0.129638 0.909435 O\n0.164894 0.129638 0.409435 O\n0.664894 0.870362 0.090565 O\n0.474812 0.961925 0.283474 O\n0.974812 0.038075 0.216526 O\n0.525188 0.038075 0.716526 O\n0.025188 0.961925 0.783474 O\n",
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"volume": 1964.7799010049955,
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"formula_full": "Re4 Bi36 O68",
"formula_reduced": "ReBi9O17",
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{
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"created_at": "2022-09-04T14:42:00.376410Z",
"structure_string": "Sr1 Ca3 Sn4 O12\n1.0\n8.050727 0.000000 0.000000\n0.000000 5.638286 0.000000\n0.000000 0.002655 5.768412\nSr Ca Sn O\n1 3 4 12\ndirect\n0.000000 0.489076 0.457754 Sr\n0.000000 0.013535 0.949657 Ca\n0.500000 0.510558 0.552216 Ca\n0.500000 0.990608 0.047449 Ca\n0.252153 0.499570 0.001257 Sn\n0.747272 0.000325 0.500124 Sn\n0.747847 0.499570 0.001257 Sn\n0.252728 0.000325 0.500124 Sn\n0.000000 0.602584 0.021975 O\n0.000000 0.918790 0.540039 O\n0.500000 0.397868 0.962709 O\n0.500000 0.104123 0.457727 O\n0.199301 0.195333 0.198800 O\n0.794377 0.294913 0.708476 O\n0.694640 0.798605 0.796836 O\n0.304678 0.697683 0.299746 O\n0.305360 0.798605 0.796836 O\n0.695322 0.697683 0.299746 O\n0.800699 0.195333 0.198800 O\n0.205623 0.294913 0.708476 O\n",
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{
"id": "mp-1173859",
"created_at": "2022-09-04T14:42:00.384601Z",
"structure_string": "Na18 Fe4 P8 H2 O36\n1.0\n6.587850 0.547880 2.802178\n2.272965 11.029191 1.634419\n-0.955778 0.230824 11.336400\nNa Fe P H O\n18 4 8 2 36\ndirect\n0.119494 0.240811 0.522839 Na\n0.380480 0.004563 0.239260 Na\n0.012347 0.739078 0.739044 Na\n0.244582 0.766154 0.224602 Na\n0.263584 0.224113 0.767770 Na\n0.250246 0.504739 0.494845 Na\n0.487093 0.265099 0.262817 Na\n0.378899 0.479373 0.761619 Na\n0.619494 0.522839 0.240811 Na\n0.286041 0.969711 0.966445 Na\n0.880480 0.239260 0.004563 Na\n0.512347 0.739044 0.739078 Na\n0.763584 0.767770 0.224113 Na\n0.750246 0.494845 0.504739 Na\n0.744582 0.224602 0.766154 Na\n0.987093 0.262817 0.265099 Na\n0.878899 0.761619 0.479373 Na\n0.786041 0.966445 0.969711 Na\n0.989567 0.498123 0.002562 Fe\n0.509762 0.497177 0.002121 Fe\n0.489567 0.002562 0.498123 Fe\n0.009762 0.002121 0.497177 Fe\n0.116953 0.503302 0.265210 P\n0.377971 0.237912 0.001079 P\n0.122639 0.999247 0.756637 P\n0.382637 0.736574 0.494947 P\n0.616953 0.265210 0.503302 P\n0.877971 0.001079 0.237912 P\n0.622639 0.756637 0.999247 P\n0.882637 0.494947 0.736574 P\n0.191261 0.653406 0.971006 H\n0.691261 0.971006 0.653406 H\n0.024287 0.086429 0.867478 O\n0.026331 0.637919 0.309189 O\n0.108544 0.409148 0.379418 O\n0.254551 0.050329 0.439350 O\n0.010644 0.521687 0.813210 O\n0.329420 0.197088 0.140121 O\n0.033398 0.966101 0.317898 O\n0.322245 0.033564 0.678901 O\n0.346924 0.480811 0.189207 O\n0.151532 0.812355 0.519643 O\n0.178322 0.319333 0.966246 O\n0.465284 0.679925 0.030846 O\n0.168371 0.862687 0.805813 O\n0.489014 0.188242 0.477983 O\n0.240842 0.565329 0.953574 O\n0.392779 0.621150 0.587500 O\n0.471165 0.696381 0.358906 O\n0.473191 0.126692 0.916566 O\n0.524287 0.867478 0.086429 O\n0.526331 0.309189 0.637919 O\n0.608544 0.379418 0.409148 O\n0.754551 0.439350 0.050329 O\n0.510644 0.813210 0.521687 O\n0.829420 0.140121 0.197088 O\n0.533398 0.317898 0.966101 O\n0.822245 0.678901 0.033564 O\n0.846924 0.189207 0.480811 O\n0.651532 0.519643 0.812355 O\n0.678322 0.966246 0.319333 O\n0.965284 0.030846 0.679925 O\n0.668371 0.805813 0.862687 O\n0.989014 0.477983 0.188242 O\n0.740842 0.953574 0.565329 O\n0.892779 0.587500 0.621150 O\n0.971165 0.358906 0.696381 O\n0.973191 0.916566 0.126692 O\n",
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{
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