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{
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"results": [
{
"id": "mp-975622",
"created_at": "2022-09-04T14:41:32.728747Z",
"structure_string": "Rb4 Al4 Si6 O20\n1.0\n0.000000 8.803301 9.434686\n3.303117 0.000000 9.434686\n3.303117 8.803301 0.000000\nRb Al Si O\n4 4 6 20\ndirect\n0.984076 0.638895 0.107831 Rb\n0.269197 0.107831 0.638895 Rb\n0.142169 0.980803 0.265924 Rb\n0.611105 0.265924 0.980803 Rb\n0.565261 0.249774 0.516329 Al\n0.668636 0.516329 0.249774 Al\n0.733671 0.581364 0.684739 Al\n0.000226 0.684739 0.581364 Al\n0.558926 0.010119 0.739274 Si\n0.691680 0.739274 0.010119 Si\n0.510726 0.558320 0.691074 Si\n0.239881 0.691074 0.558320 Si\n0.999808 0.000192 0.000192 Si\n0.249808 0.250192 0.250192 Si\n0.370262 0.209614 0.002544 O\n0.417580 0.002544 0.209614 O\n0.247456 0.832420 0.879738 O\n0.040386 0.879738 0.832420 O\n0.810150 0.858306 0.584759 O\n0.746785 0.584759 0.858306 O\n0.665241 0.503215 0.439850 O\n0.391694 0.439850 0.503215 O\n0.506761 0.397763 0.700736 O\n0.394740 0.700736 0.397763 O\n0.549264 0.855260 0.743239 O\n0.852237 0.743239 0.855260 O\n0.487177 0.143855 0.637323 O\n0.731644 0.637323 0.143855 O\n0.612677 0.518356 0.762823 O\n0.106145 0.762823 0.518356 O\n0.850671 0.028950 0.236035 O\n0.884343 0.236035 0.028950 O\n0.013965 0.365657 0.399329 O\n0.221050 0.399329 0.365657 O\n",
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"elements": [
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"Al",
"Si",
"O"
],
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"density": 2.8396387706695276,
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"volume": 548.6898860872818,
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"formula_full": "Rb4 Al4 Si6 O20",
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"energy": -259.18700586,
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"updated_at": "2021-11-28T01:35:25.839000Z",
"spacegroup": 43
},
{
"id": "mp-1194687",
"created_at": "2022-09-04T14:41:32.754873Z",
"structure_string": "Bi52 Pt12 I28\n1.0\n9.320757 0.000000 0.000000\n-0.035629 16.211218 0.000000\n-4.647490 -5.444232 21.800668\nBi Pt I\n52 12 28\ndirect\n0.613963 0.026093 0.127132 Bi\n0.386037 0.973907 0.872868 Bi\n0.689446 0.078511 0.281298 Bi\n0.310554 0.921489 0.718702 Bi\n0.517279 0.250191 0.280079 Bi\n0.482721 0.749809 0.719921 Bi\n0.438487 0.197016 0.124817 Bi\n0.561513 0.802984 0.875183 Bi\n0.940983 0.136629 0.125296 Bi\n0.059017 0.863371 0.874704 Bi\n0.018262 0.188251 0.280521 Bi\n0.981738 0.811749 0.719479 Bi\n0.848188 0.359385 0.282377 Bi\n0.151812 0.640615 0.717623 Bi\n0.766906 0.309285 0.127354 Bi\n0.233094 0.690715 0.872646 Bi\n0.107485 0.306131 0.123799 Bi\n0.892515 0.693869 0.876201 Bi\n0.189254 0.359232 0.279862 Bi\n0.810746 0.640768 0.720138 Bi\n0.185505 0.580349 0.282600 Bi\n0.814495 0.419651 0.717400 Bi\n0.112122 0.526665 0.127674 Bi\n0.887878 0.473335 0.872326 Bi\n0.767157 0.526983 0.123999 Bi\n0.232843 0.473017 0.876001 Bi\n0.843375 0.578456 0.280228 Bi\n0.156625 0.421544 0.719772 Bi\n0.013972 0.750163 0.279774 Bi\n0.986028 0.249837 0.720226 Bi\n0.934879 0.697374 0.124967 Bi\n0.065121 0.302626 0.875033 Bi\n0.437528 0.637049 0.124491 Bi\n0.562472 0.362951 0.875509 Bi\n0.514162 0.687791 0.279748 Bi\n0.485838 0.312209 0.720252 Bi\n0.685988 0.859819 0.281024 Bi\n0.314012 0.140181 0.718976 Bi\n0.605950 0.806029 0.124226 Bi\n0.394050 0.193971 0.875774 Bi\n0.263791 0.810053 0.127535 Bi\n0.736209 0.189947 0.872465 Bi\n0.345369 0.860107 0.282214 Bi\n0.654631 0.139893 0.717786 Bi\n0.269027 0.027464 0.124129 Bi\n0.730973 0.972536 0.875871 Bi\n0.347601 0.080052 0.281014 Bi\n0.652399 0.919948 0.718986 Bi\n0.859359 0.120068 0.500140 Bi\n0.140641 0.879932 0.499860 Bi\n0.158080 0.377592 0.503302 Bi\n0.841920 0.622408 0.496698 Bi\n0.729877 0.193399 0.204569 Pt\n0.270123 0.806601 0.795431 Pt\n0.978572 0.443858 0.205058 Pt\n0.021428 0.556142 0.794942 Pt\n0.725472 0.693270 0.203953 Pt\n0.274528 0.306730 0.796047 Pt\n0.477872 0.943896 0.204852 Pt\n0.522128 0.056104 0.795148 Pt\n0.226212 0.694230 0.204494 Pt\n0.773788 0.305770 0.795506 Pt\n0.229536 0.193620 0.203757 Pt\n0.770464 0.806380 0.796243 Pt\n0.480188 0.444791 0.208586 I\n0.519812 0.555209 0.791414 I\n0.980821 0.945645 0.209718 I\n0.019179 0.054355 0.790282 I\n0.381781 0.378242 0.008313 I\n0.618219 0.621758 0.991687 I\n0.875252 0.374971 0.998965 I\n0.124748 0.625029 0.001035 I\n0.627196 0.125762 0.000308 I\n0.372804 0.874238 0.999692 I\n0.122545 0.122267 0.991783 I\n0.877455 0.877733 0.008217 I\n0.065097 0.002120 0.413732 I\n0.934903 0.997880 0.586268 I\n0.591510 0.016850 0.423067 I\n0.408490 0.983150 0.576933 I\n0.674822 0.228148 0.577593 I\n0.325178 0.771852 0.422407 I\n0.165505 0.233620 0.575736 I\n0.834495 0.766380 0.424264 I\n0.846772 0.259719 0.423148 I\n0.153228 0.740281 0.576852 I\n0.343234 0.276626 0.424093 I\n0.656766 0.723374 0.575907 I\n0.400106 0.478207 0.594284 I\n0.599894 0.521793 0.405716 I\n0.905130 0.485430 0.574378 I\n0.094870 0.514570 0.425622 I\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"I"
],
"chemical_system": "Bi-I-Pt",
"density": 8.44929601672636,
"density_atomic": 0.027928730449578717,
"volume": 3294.098890964367,
"volume_molar": 21.562529563855772,
"formula_full": "Bi52 Pt12 I28",
"formula_reduced": "Bi13Pt3I7",
"formula_anonymous": "A3B7C13",
"energy": -353.7873993,
"energy_per_atom": -3.845515209782609,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.186000Z",
"spacegroup": 2
},
{
"id": "mp-1094649",
"created_at": "2022-09-04T14:41:32.777550Z",
"structure_string": "Mg4 Ga2\n1.0\n1.547590 5.714920 0.000000\n-1.547590 5.714920 0.000000\n0.000000 1.478446 7.052404\nMg Ga\n4 2\ndirect\n0.005450 0.005450 0.003528 Mg\n0.336711 0.336711 0.339698 Mg\n0.658754 0.658754 0.654940 Mg\n0.279534 0.279534 0.941221 Mg\n0.616025 0.616025 0.275601 Ga\n0.936858 0.936858 0.618345 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.1502985929528755,
"density_atomic": 0.04809700143497162,
"volume": 124.74790155290978,
"volume_molar": 12.52082371110409,
"formula_full": "Mg4 Ga2",
"formula_reduced": "Mg2Ga",
"formula_anonymous": "AB2",
"energy": -12.82006046,
"energy_per_atom": -2.1366767433333336,
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"updated_at": "2021-11-28T01:35:26.590000Z",
"spacegroup": 8
},
{
"id": "mp-1184593",
"created_at": "2022-09-04T14:41:32.782394Z",
"structure_string": "Ho2 Ir1 Pd1\n1.0\n0.000000 3.453406 3.453406\n3.453406 0.000000 3.453406\n3.453406 3.453406 0.000000\nHo Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
"Ho",
"Ir",
"Pd"
],
"chemical_system": "Ho-Ir-Pd",
"density": 12.670093954572549,
"density_atomic": 0.04856093923485789,
"volume": 82.37072970633011,
"volume_molar": 12.401203219885835,
"formula_full": "Ho2 Ir1 Pd1",
"formula_reduced": "Ho2IrPd",
"formula_anonymous": "ABC2",
"energy": -26.93670724,
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"updated_at": "2021-11-28T01:35:21.212000Z",
"spacegroup": 225
},
{
"id": "mp-1099722",
"created_at": "2022-09-04T14:41:32.782395Z",
"structure_string": "K16 Na16 Mo8 W24 O80\n1.0\n0.003571 0.019740 11.575212\n11.753969 0.004871 0.004061\n-5.872287 15.510225 -5.763180\nK Na Mo W O\n16 16 8 24 80\ndirect\n0.304745 0.067656 0.108216 K\n0.302130 0.559971 0.105974 K\n0.805652 0.063304 0.110256 K\n0.803760 0.562202 0.107544 K\n0.202049 0.934239 0.393284 K\n0.192434 0.928430 0.882213 K\n0.701901 0.436836 0.396330 K\n0.692047 0.428620 0.884014 K\n0.699631 0.932862 0.393989 K\n0.059396 0.293954 0.109416 K\n0.052660 0.791166 0.104956 K\n0.553228 0.292157 0.107841 K\n0.553698 0.794215 0.104582 K\n0.452278 0.712745 0.394881 K\n0.440605 0.705687 0.882556 K\n0.941824 0.703237 0.882185 K\n0.299638 0.070509 0.603110 Na\n0.301414 0.563629 0.599921 Na\n0.801706 0.067109 0.603173 Na\n0.798152 0.568361 0.601674 Na\n0.204010 0.439218 0.406321 Na\n0.199027 0.434456 0.897957 Na\n0.696988 0.933377 0.896544 Na\n0.051531 0.282080 0.602704 Na\n0.050231 0.786513 0.600499 Na\n0.550876 0.285079 0.601603 Na\n0.552842 0.785661 0.602266 Na\n0.454658 0.215577 0.407975 Na\n0.447148 0.211707 0.897007 Na\n0.952841 0.217999 0.406670 Na\n0.949261 0.212473 0.897183 Na\n0.951123 0.717111 0.404080 Na\n0.006139 0.998118 0.995808 Mo\n0.002948 0.495245 0.994031 Mo\n0.503941 0.997670 0.993514 Mo\n0.514602 0.005887 0.506397 Mo\n0.504641 0.495846 0.994651 Mo\n0.255169 0.248850 0.995114 Mo\n0.252897 0.744418 0.992346 Mo\n0.753515 0.748088 0.993885 Mo\n0.015857 0.001911 0.504493 W\n0.014802 0.502228 0.502415 W\n0.516105 0.501784 0.506653 W\n0.264849 0.254347 0.505613 W\n0.264984 0.750005 0.504107 W\n0.755892 0.244029 0.993202 W\n0.767937 0.251569 0.506002 W\n0.765261 0.753465 0.506617 W\n0.098862 0.109019 0.259271 W\n0.087636 0.098134 0.747745 W\n0.096008 0.592997 0.255881 W\n0.087379 0.582753 0.738220 W\n0.596577 0.101506 0.256920 W\n0.584584 0.088784 0.745604 W\n0.598426 0.592466 0.249971 W\n0.587088 0.589563 0.742602 W\n0.346815 0.403523 0.259881 W\n0.336582 0.399760 0.748369 W\n0.348368 0.912161 0.249505 W\n0.336644 0.907937 0.739661 W\n0.855951 0.404736 0.253553 W\n0.841444 0.399417 0.743693 W\n0.852595 0.909317 0.252698 W\n0.834559 0.911704 0.747272 W\n0.130095 0.124199 0.489885 O\n0.123590 0.121699 0.984647 O\n0.128865 0.616325 0.483312 O\n0.122985 0.612772 0.982537 O\n0.632729 0.125295 0.494832 O\n0.624232 0.114919 0.981502 O\n0.632519 0.622791 0.494066 O\n0.623005 0.617889 0.984800 O\n0.131761 0.376502 0.002215 O\n0.148368 0.387829 0.521623 O\n0.134113 0.875112 0.004313 O\n0.147238 0.882069 0.521299 O\n0.632877 0.373277 0.003620 O\n0.648886 0.384783 0.523839 O\n0.633962 0.877596 0.003227 O\n0.648938 0.888409 0.526042 O\n0.382302 0.122822 0.489444 O\n0.374216 0.119027 0.981783 O\n0.380958 0.616315 0.492073 O\n0.371722 0.613451 0.983740 O\n0.883661 0.119843 0.488481 O\n0.874969 0.114784 0.982894 O\n0.884533 0.622379 0.491614 O\n0.872761 0.616298 0.984987 O\n0.382914 0.376966 0.002611 O\n0.398394 0.385994 0.521695 O\n0.382173 0.877579 0.004061 O\n0.399041 0.890270 0.526025 O\n0.885194 0.375583 0.004441 O\n0.900002 0.386187 0.522079 O\n0.881055 0.877789 0.003590 O\n0.898167 0.886556 0.522315 O\n0.074031 0.082207 0.137259 O\n0.092439 0.107388 0.639371 O\n0.071525 0.584376 0.140145 O\n0.092248 0.612275 0.638672 O\n0.572163 0.082175 0.136063 O\n0.586806 0.111855 0.642541 O\n0.573827 0.589073 0.134712 O\n0.595427 0.613095 0.640273 O\n0.446925 0.391041 0.367591 O\n0.439303 0.392911 0.857587 O\n0.448285 0.916018 0.364819 O\n0.441772 0.913167 0.854364 O\n0.953273 0.392434 0.364580 O\n0.935965 0.396677 0.856284 O\n0.947469 0.897786 0.365378 O\n0.944449 0.910844 0.858290 O\n0.325428 0.309372 0.138519 O\n0.340074 0.282455 0.640027 O\n0.325837 0.797364 0.138144 O\n0.339339 0.775902 0.639951 O\n0.829993 0.299059 0.135175 O\n0.850191 0.276358 0.639797 O\n0.829695 0.799713 0.138751 O\n0.839193 0.786674 0.643323 O\n0.201871 0.226044 0.367124 O\n0.190682 0.212832 0.857298 O\n0.206619 0.705380 0.366606 O\n0.187450 0.691247 0.854891 O\n0.707177 0.208758 0.367545 O\n0.702701 0.194891 0.856523 O\n0.700780 0.699256 0.366834 O\n0.682095 0.706632 0.855814 O\n0.442074 0.078964 0.272827 O\n0.417567 0.070203 0.749978 O\n0.438730 0.545194 0.250072 O\n0.417375 0.540404 0.730365 O\n0.945515 0.074662 0.275176 O\n0.921904 0.065943 0.749967 O\n0.936871 0.568767 0.267431 O\n0.916514 0.543612 0.728013 O\n0.190554 0.448456 0.272862 O\n0.171558 0.432617 0.751704 O\n0.185285 0.955423 0.247286 O\n0.165528 0.938583 0.729139 O\n0.695364 0.449858 0.254575 O\n0.671813 0.435387 0.732623 O\n0.689565 0.953522 0.249096 O\n0.665987 0.934455 0.748427 O\n",
"nsites": 144,
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"elements": [
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"Mo",
"W",
"O"
],
"chemical_system": "K-Mo-Na-O-W",
"density": 5.860139858176772,
"density_atomic": 0.06818484522060107,
"volume": 2111.906238609345,
"volume_molar": 8.832081000574739,
"formula_full": "K16 Na16 Mo8 W24 O80",
"formula_reduced": "K2Na2MoW3O10",
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"energy": -1092.00991413,
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"updated_at": "2021-11-28T01:35:26.618000Z",
"spacegroup": 1
},
{
"id": "mp-1220229",
"created_at": "2022-09-04T14:41:32.783411Z",
"structure_string": "Pr2 Zn6 As6\n1.0\n-2.108359 -3.649880 0.000000\n-2.109986 3.649077 0.000000\n0.000000 0.000000 -20.658882\nPr Zn As\n2 6 6\ndirect\n0.998125 0.000550 0.500021 Pr\n0.998125 0.000550 0.999979 Pr\n0.666375 0.334651 0.128240 Zn\n0.333772 0.667903 0.871698 Zn\n0.333772 0.667903 0.628302 Zn\n0.666375 0.334651 0.371760 Zn\n0.632602 0.358255 0.750000 Zn\n0.275587 0.634296 0.250000 Zn\n0.666453 0.334279 0.586954 As\n0.332973 0.667988 0.413085 As\n0.332973 0.667988 0.086915 As\n0.666453 0.334279 0.913046 As\n0.297203 0.695487 0.750000 As\n0.602109 0.297318 0.250000 As\n",
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"elements": [
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"volume": 318.0385310087126,
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"formula_full": "Pr2 Zn6 As6",
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},
{
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