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{
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O\n0.082145 0.437829 0.918964 O\n0.082146 0.081040 0.518867 O\n0.082145 0.481136 0.562173 O\n0.944893 0.593662 0.777171 O\n0.944895 0.222832 0.816491 O\n0.944896 0.183509 0.406341 O\n0.055107 0.406338 0.222829 O\n0.055105 0.777168 0.183509 O\n0.055104 0.816491 0.593659 O\n0.781877 0.695638 0.114088 O\n0.781876 0.885909 0.581549 O\n0.781876 0.418449 0.304362 O\n0.218123 0.304362 0.885912 O\n0.218124 0.114091 0.418451 O\n0.218124 0.581551 0.695638 O\n0.856488 0.563481 0.896978 O\n0.856489 0.103024 0.666501 O\n0.856488 0.333499 0.436521 O\n0.143512 0.436519 0.103022 O\n0.143511 0.896976 0.333499 O\n0.143512 0.666501 0.563479 O\n",
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"elements": [
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"chemical_system": "Ag-Ge-O-S",
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"formula_full": "Ag12 Ge6 S36 O126",
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"energy": -1122.23338543,
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"updated_at": "2021-11-28T01:36:37.300000Z",
"spacegroup": 147
},
{
"id": "mp-651051",
"created_at": "2022-09-04T14:46:07.370274Z",
"structure_string": "Te8 W12 C60 O60\n1.0\n11.022666 0.000000 0.000000\n0.000000 11.022666 0.000000\n0.000000 0.000000 21.566236\nTe W C O\n8 12 60 60\ndirect\n0.036204 0.118053 0.782283 Te\n0.536204 0.381947 0.967717 Te\n0.118053 0.036204 0.217717 Te\n0.963796 0.881947 0.282283 Te\n0.881947 0.963796 0.717717 Te\n0.381947 0.536204 0.032283 Te\n0.463796 0.618053 0.467717 Te\n0.618053 0.463796 0.532283 Te\n0.813423 0.779838 0.802474 W\n0.720162 0.313423 0.052474 W\n0.779838 0.813423 0.197526 W\n0.279838 0.686577 0.552474 W\n0.211506 0.788494 0.250000 W\n0.686577 0.279838 0.447526 W\n0.711506 0.711506 0.500000 W\n0.220162 0.186577 0.697526 W\n0.186577 0.220162 0.302474 W\n0.788494 0.211506 0.750000 W\n0.288494 0.288494 0.000000 W\n0.313423 0.720162 0.947526 W\n0.724709 0.149812 0.835057 C\n0.843518 0.843518 0.500000 C\n0.112338 0.648424 0.292293 C\n0.165430 0.714087 0.477731 C\n0.268721 0.860738 0.891052 C\n0.275291 0.850188 0.335057 C\n0.231279 0.360738 0.358948 C\n0.149812 0.724709 0.164943 C\n0.661642 0.133821 0.052076 C\n0.860738 0.268721 0.108948 C\n0.148424 0.387662 0.042293 C\n0.768721 0.639262 0.858948 C\n0.224709 0.350188 0.914943 C\n0.133821 0.661642 0.947924 C\n0.214087 0.334570 0.227731 C\n0.156482 0.156482 0.000000 C\n0.725357 0.994436 0.200345 C\n0.351576 0.887662 0.207707 C\n0.145576 0.118048 0.381581 C\n0.360738 0.231279 0.641052 C\n0.343518 0.656482 0.250000 C\n0.354424 0.618048 0.868419 C\n0.665430 0.785913 0.272269 C\n0.618048 0.354424 0.131581 C\n0.866179 0.338358 0.447924 C\n0.612338 0.851576 0.457707 C\n0.387662 0.148424 0.957707 C\n0.854424 0.881952 0.881581 C\n0.494436 0.774643 0.950345 C\n0.656482 0.343518 0.750000 C\n0.338358 0.866179 0.552076 C\n0.285913 0.834570 0.022269 C\n0.851576 0.612338 0.542293 C\n0.881952 0.854424 0.118419 C\n0.366179 0.161642 0.302076 C\n0.645576 0.381952 0.368419 C\n0.350188 0.224709 0.085057 C\n0.648424 0.112338 0.707707 C\n0.994436 0.725357 0.799655 C\n0.334570 0.214087 0.772269 C\n0.639262 0.768721 0.141052 C\n0.850188 0.275291 0.664943 C\n0.775291 0.649812 0.414943 C\n0.161642 0.366179 0.697924 C\n0.505564 0.225357 0.450345 C\n0.785913 0.665430 0.727731 C\n0.274643 0.005564 0.700345 C\n0.774643 0.494436 0.049655 C\n0.005564 0.274643 0.299655 C\n0.714087 0.165430 0.522269 C\n0.633821 0.838358 0.802076 C\n0.731279 0.139262 0.391052 C\n0.649812 0.775291 0.585057 C\n0.225357 0.505564 0.549655 C\n0.887662 0.351576 0.792293 C\n0.139262 0.731279 0.608948 C\n0.834570 0.285913 0.977731 C\n0.118048 0.145576 0.618419 C\n0.838358 0.633821 0.197924 C\n0.381952 0.645576 0.631581 C\n0.185079 0.381501 0.867822 O\n0.618599 0.434317 0.323795 O\n0.618499 0.814921 0.632178 O\n0.871129 0.533495 0.197469 O\n0.437322 0.066326 0.935951 O\n0.057726 0.756498 0.641151 O\n0.933674 0.562678 0.564049 O\n0.942274 0.243502 0.141151 O\n0.743502 0.557726 0.891151 O\n0.305390 0.904805 0.702702 O\n0.881501 0.314921 0.617822 O\n0.033495 0.628871 0.947469 O\n0.934317 0.881401 0.073795 O\n0.565683 0.381401 0.176205 O\n0.118599 0.065683 0.426205 O\n0.095195 0.694610 0.797298 O\n0.224015 0.405187 0.187683 O\n0.594813 0.775985 0.312317 O\n0.256498 0.442274 0.391151 O\n0.062678 0.566326 0.314049 O\n0.275985 0.905187 0.062317 O\n0.562678 0.933674 0.435951 O\n0.966505 0.371129 0.447469 O\n0.371129 0.966505 0.552531 O\n0.314921 0.881501 0.382178 O\n0.628871 0.033495 0.052531 O\n0.566326 0.062678 0.685951 O\n0.417780 0.582220 0.250000 O\n0.685079 0.118499 0.882178 O\n0.814921 0.618499 0.367822 O\n0.405187 0.224015 0.812317 O\n0.724015 0.094813 0.562317 O\n0.582220 0.417780 0.750000 O\n0.118499 0.685079 0.117822 O\n0.881401 0.934317 0.926205 O\n0.917780 0.917780 0.500000 O\n0.904805 0.305390 0.297298 O\n0.065683 0.118599 0.573795 O\n0.381501 0.185079 0.132178 O\n0.905187 0.275985 0.937683 O\n0.404805 0.194610 0.452702 O\n0.066326 0.437322 0.064049 O\n0.775985 0.594813 0.687683 O\n0.694610 0.095195 0.202702 O\n0.466505 0.128871 0.302531 O\n0.595195 0.805390 0.952702 O\n0.937322 0.433674 0.814049 O\n0.243502 0.942274 0.858849 O\n0.128871 0.466505 0.697469 O\n0.194610 0.404805 0.547298 O\n0.094813 0.724015 0.437683 O\n0.082220 0.082220 0.000000 O\n0.756498 0.057726 0.358849 O\n0.533495 0.871129 0.802531 O\n0.442274 0.256498 0.608849 O\n0.557726 0.743502 0.108849 O\n0.381401 0.565683 0.823795 O\n0.805390 0.595195 0.047298 O\n0.433674 0.937322 0.185951 O\n0.434317 0.618599 0.676205 O\n",
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"elements": [
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],
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"density": 3.1100009196702234,
"density_atomic": 0.05342941096895267,
"volume": 2620.2796823149088,
"volume_molar": 11.271209341048902,
"formula_full": "Te8 W12 C60 O60",
"formula_reduced": "Te2W3(CO)15",
"formula_anonymous": "A2B3C15D15",
"energy": -1133.82274749,
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"updated_at": "2021-11-28T01:37:22.728000Z",
"spacegroup": 92
},
{
"id": "mp-704268",
"created_at": "2022-09-04T14:46:29.404024Z",
"structure_string": "Mn36 Ag48 O96\n1.0\n6.413630 -11.108733 0.000000\n6.413630 11.108733 0.000000\n0.000000 0.000000 15.737184\nMn Ag O\n36 48 96\ndirect\n0.041873 0.705813 0.833313 Mn\n0.431774 0.946277 0.530836 Mn\n0.121685 0.667917 0.999831 Mn\n0.336060 0.294187 0.833354 Mn\n0.705813 0.041873 0.166687 Mn\n0.546233 0.878315 0.666498 Mn\n0.236844 0.847927 0.138003 Mn\n0.294187 0.336060 0.166646 Mn\n0.332083 0.453767 0.333165 Mn\n0.630101 0.000000 0.833333 Mn\n0.847927 0.236844 0.861997 Mn\n0.100247 0.281314 0.863496 Mn\n0.000000 0.790626 0.666667 Mn\n0.453767 0.332083 0.666835 Mn\n0.369899 0.369899 0.500000 Mn\n0.053723 0.485497 0.864170 Mn\n0.568226 0.514503 0.802497 Mn\n0.667917 0.121685 0.000169 Mn\n0.181067 0.899753 0.530163 Mn\n0.514503 0.568226 0.197503 Mn\n0.958127 0.663940 0.500021 Mn\n0.790626 0.000000 0.333333 Mn\n0.878315 0.546233 0.333502 Mn\n0.899753 0.181067 0.469837 Mn\n0.152073 0.388918 0.471337 Mn\n0.663940 0.958127 0.499979 Mn\n0.718686 0.818933 0.196829 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0.333452 0.404359 O\n0.235927 0.181488 0.218726 O\n0.088339 0.939851 0.605993 O\n0.105959 0.612945 0.782223 O\n0.120250 0.839162 0.755293 O\n0.089240 0.740829 0.588452 O\n0.954946 0.502260 0.246914 O\n0.000086 0.333538 0.928975 O\n0.425290 0.605379 0.276731 O\n0.651588 0.910760 0.255118 O\n0.764073 0.945561 0.114608 O\n0.807604 0.760170 0.134651 O\n0.272056 0.753940 0.059070 O\n0.592366 0.016200 0.586646 O\n0.493014 0.387055 0.884444 O\n0.348412 0.259171 0.078215 O\n0.192396 0.952566 0.198682 O\n0.818512 0.054439 0.552059 O\n0.170252 0.787071 0.912808 O\n0.280429 0.849583 0.474042 O\n0.717869 0.157238 0.782159 O\n0.574710 0.180090 0.056602 O\n0.753940 0.272056 0.940930 O\n0.481884 0.727944 0.725737 O\n0.054439 0.818512 0.447941 O\n0.683820 0.922811 0.746562 O\n0.476911 0.091450 0.467868 O\n0.718912 0.879750 0.421959 O\n0.452685 0.497740 0.419753 O\n0.829748 0.616820 0.420526 O\n0.922811 0.683820 0.253438 O\n0.333538 0.000086 0.071025 O\n0.506986 0.894041 0.448889 O\n0.333452 0.999914 0.595641 O\n0.787071 0.170252 0.087192 O\n0.077189 0.761009 0.079896 O\n0.316180 0.238991 0.586771 O\n0.387055 0.493014 0.115556 O\n0.518116 0.246060 0.607597 O\n0.423833 0.407634 0.253312 O\n0.047434 0.239830 0.532015 O\n0.727944 0.481884 0.274263 O\n0.879750 0.718912 0.578041 O\n0.181488 0.235927 0.781274 O\n0.383180 0.212929 0.753859 O\n0.719571 0.569154 0.859291 O\n0.430846 0.150417 0.192625 O\n0.614538 0.523089 0.134535 O\n0.157238 0.717869 0.217841 O\n0.908550 0.385462 0.801202 O\n0.281088 0.160838 0.911374 O\n0.616820 0.829748 0.579474 O\n0.849583 0.280429 0.525958 O\n0.910760 0.651588 0.744882 O\n0.819910 0.394621 0.389935 O\n0.547315 0.045054 0.913581 O\n0.407634 0.423833 0.746688 O\n0.523089 0.614538 0.865465 O\n0.983800 0.576167 0.919979 O\n0.842762 0.560631 0.115492 O\n0.246060 0.518116 0.392403 O\n0.851512 0.911661 0.272659 O\n0.497740 0.452685 0.580247 O\n0.569154 0.719571 0.140709 O\n0.839162 0.120250 0.244707 O\n0.239830 0.047434 0.467985 O\n0.666462 0.666548 0.262308 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"updated_at": "2021-11-28T01:37:29.524000Z",
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},
{
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"formula_full": "K16 Ti8 C32 O92",
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"updated_at": "2021-11-28T01:37:48.479000Z",
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{
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{
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