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{
"id": "mp-1202331",
"created_at": "2022-09-04T14:41:18.544313Z",
"structure_string": "Mo4 P12 H108 C36 I8 O4\n1.0\n10.550540 0.000000 0.000000\n0.000000 11.265876 0.000000\n0.000000 0.000000 20.051510\nMo P H C I O\n4 12 108 36 8 4\ndirect\n0.755706 0.434890 0.386852 Mo\n0.744294 0.565110 0.886852 Mo\n0.255706 0.065110 0.613148 Mo\n0.244294 0.934890 0.113148 Mo\n0.523970 0.354456 0.388041 P\n0.976030 0.645544 0.888041 P\n0.023970 0.145544 0.611959 P\n0.476030 0.854456 0.111959 P\n0.696564 0.640860 0.441708 P\n0.803436 0.359140 0.941708 P\n0.196564 0.859140 0.558292 P\n0.303436 0.140860 0.058292 P\n0.831976 0.276433 0.298009 P\n0.668024 0.723567 0.798009 P\n0.331976 0.223567 0.701991 P\n0.168024 0.776433 0.201991 P\n0.447597 0.344854 0.274211 H\n0.052403 0.655146 0.774211 H\n0.947597 0.155146 0.725789 H\n0.552403 0.844854 0.225789 H\n0.412199 0.483633 0.312076 H\n0.087801 0.516367 0.812076 H\n0.912199 0.016367 0.687924 H\n0.587801 0.983633 0.187924 H\n0.318957 0.354250 0.332024 H\n0.181043 0.645750 0.832024 H\n0.818957 0.145750 0.667976 H\n0.681043 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C\n0.585756 0.887354 0.179842 C\n0.434426 0.398175 0.462301 C\n0.065574 0.601825 0.962301 C\n0.934426 0.101825 0.537699 C\n0.565574 0.898175 0.037699 C\n0.514745 0.193342 0.397529 C\n0.985255 0.806658 0.897529 C\n0.014745 0.306658 0.602471 C\n0.485255 0.693342 0.102471 C\n0.800875 0.766952 0.424757 C\n0.699125 0.233048 0.924757 C\n0.300876 0.733048 0.575243 C\n0.199125 0.266952 0.075243 C\n0.692623 0.637078 0.532970 C\n0.807377 0.362922 0.032970 C\n0.192623 0.862922 0.467030 C\n0.307377 0.137078 0.967030 C\n0.544564 0.709214 0.419894 C\n0.955436 0.290786 0.919894 C\n0.044564 0.790786 0.580106 C\n0.455436 0.209214 0.080106 C\n0.717399 0.229194 0.234933 C\n0.782601 0.770806 0.734933 C\n0.217399 0.270806 0.765067 C\n0.282601 0.729194 0.265067 C\n0.882084 0.136223 0.335614 C\n0.617916 0.863777 0.835614 C\n0.382084 0.363777 0.664386 C\n0.117916 0.636223 0.164386 C\n0.966772 0.314779 0.245138 C\n0.533228 0.685221 0.745138 C\n0.466772 0.185221 0.754862 C\n0.033228 0.814779 0.254862 C\n0.016113 0.503739 0.396705 I\n0.483887 0.496261 0.896705 I\n0.516113 0.996261 0.603295 I\n0.983887 0.003739 0.103295 I\n0.710562 0.572596 0.262093 I\n0.789438 0.427404 0.762093 I\n0.210562 0.927404 0.737907 I\n0.289438 0.072596 0.237907 I\n0.751343 0.357905 0.465765 O\n0.748657 0.642095 0.965765 O\n0.251343 0.142095 0.534235 O\n0.248657 0.857905 0.034235 O\n",
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"elements": [
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"density": 1.6553673926196575,
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"formula_full": "Mo4 P12 H108 C36 I8 O4",
"formula_reduced": "MoP3H27C9I2O",
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"energy": -883.4000635599999,
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"updated_at": "2021-11-28T01:35:09.621000Z",
"spacegroup": 19
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{
"id": "mp-561235",
"created_at": "2022-09-04T14:41:14.395226Z",
"structure_string": "As4 C4 S4 F44\n1.0\n11.372758 0.000000 0.000000\n0.000000 6.378019 0.000000\n0.000000 2.190893 11.714721\nAs C S F\n4 4 4 44\ndirect\n0.016118 0.163147 0.218441 As\n0.983882 0.836853 0.781559 As\n0.483882 0.163147 0.718441 As\n0.516118 0.836853 0.281559 As\n0.790560 0.488345 0.515736 C\n0.209440 0.511655 0.484264 C\n0.709440 0.488345 0.015736 C\n0.290560 0.511655 0.984264 C\n0.326813 0.692293 0.547170 S\n0.673187 0.307707 0.452830 S\n0.826813 0.307707 0.952830 S\n0.173187 0.692293 0.047170 S\n0.575597 0.661276 0.406638 F\n0.782547 0.366929 0.826151 F\n0.756452 0.093816 0.984328 F\n0.371934 0.780841 0.347468 F\n0.500697 0.386300 0.784208 F\n0.128066 0.780841 0.847468 F\n0.217453 0.633071 0.173849 F\n0.075597 0.338724 0.093362 F\n0.527128 0.049892 0.358364 F\n0.871934 0.219159 0.152532 F\n0.999303 0.386300 0.284208 F\n0.924403 0.661276 0.906638 F\n0.472872 0.950108 0.641636 F\n0.972872 0.049892 0.858364 F\n0.450165 0.003083 0.165926 F\n0.658403 0.886896 0.227528 F\n0.733817 0.599454 0.582596 F\n0.233817 0.400546 0.917404 F\n0.282547 0.633071 0.673849 F\n0.027128 0.950108 0.141636 F\n0.630687 0.357135 0.073841 F\n0.256452 0.906184 0.515672 F\n0.424403 0.338724 0.593362 F\n0.659855 0.615844 0.927850 F\n0.159855 0.384156 0.572150 F\n0.840145 0.615844 0.427850 F\n0.743548 0.093816 0.484328 F\n0.841597 0.886896 0.727528 F\n0.869313 0.357135 0.573841 F\n0.549835 0.996917 0.834074 F\n0.000697 0.613700 0.715792 F\n0.130687 0.642865 0.426159 F\n0.341597 0.113104 0.772472 F\n0.499303 0.613700 0.215792 F\n0.158403 0.113104 0.272472 F\n0.950165 0.996917 0.334074 F\n0.717453 0.366929 0.326151 F\n0.243548 0.906184 0.015672 F\n0.049835 0.003083 0.665926 F\n0.266183 0.400546 0.417404 F\n0.766183 0.599454 0.082596 F\n0.369313 0.642865 0.926159 F\n0.340145 0.384156 0.072150 F\n0.628066 0.219159 0.652532 F\n",
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"spacegroup": 14
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{
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"structure_string": "Cu21 Pd7\n1.0\n3.728258 0.000000 0.000000\n0.000000 3.728258 0.000000\n0.000000 0.000000 25.825064\nCu Pd\n21 7\ndirect\n0.500000 0.000000 0.142899 Cu\n0.500000 0.500000 0.928631 Cu\n0.000000 0.000000 0.642941 Cu\n0.500000 0.500000 0.785680 Cu\n0.500000 0.000000 0.285719 Cu\n0.000000 0.500000 0.714281 Cu\n0.500000 0.000000 0.857101 Cu\n0.500000 0.500000 0.071369 Cu\n0.500000 0.000000 0.571422 Cu\n0.000000 0.500000 0.142899 Cu\n0.000000 0.500000 0.428578 Cu\n0.500000 0.000000 0.714281 Cu\n0.000000 0.500000 0.857101 Cu\n0.000000 0.500000 0.571422 Cu\n0.000000 0.000000 0.357059 Cu\n0.500000 0.000000 0.428578 Cu\n0.500000 0.500000 0.214320 Cu\n0.000000 0.500000 0.285719 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.357060 Pd\n0.000000 0.000000 0.928504 Pd\n0.500000 0.500000 0.642940 Pd\n0.000000 0.000000 0.785614 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.071496 Pd\n0.000000 0.000000 0.214386 Pd\n",
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{
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"structure_string": "Cs2 Hg1 Sb1 Br6\n1.0\n0.000000 5.826711 5.826711\n5.826711 0.000000 5.826711\n5.826711 5.826711 0.000000\nCs Hg Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.758891 0.241109 0.241109 Br\n0.241109 0.241109 0.758891 Br\n0.241109 0.758891 0.758891 Br\n0.241109 0.758891 0.241109 Br\n0.758891 0.241109 0.758891 Br\n0.758891 0.758891 0.241109 Br\n",
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"formula_full": "Cs2 Hg1 Sb1 Br6",
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{
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"created_at": "2022-09-04T14:41:14.668181Z",
"structure_string": "Mn4 Bi6 O14\n1.0\n2.916590 -10.286428 0.000000\n2.916590 10.286428 0.000000\n0.000000 0.000000 5.802170\nMn Bi O\n4 6 14\ndirect\n0.156856 0.368431 0.991865 Mn\n0.368431 0.156856 0.991865 Mn\n0.843144 0.631569 0.491865 Mn\n0.631569 0.843144 0.491865 Mn\n0.160655 0.160655 0.583361 Bi\n0.839345 0.839345 0.083361 Bi\n0.587433 0.957240 0.967790 Bi\n0.957240 0.587433 0.967790 Bi\n0.412567 0.042760 0.467790 Bi\n0.042760 0.412567 0.467790 Bi\n0.788475 0.788475 0.468146 O\n0.211525 0.211525 0.968146 O\n0.631104 0.058749 0.570262 O\n0.058749 0.631104 0.570262 O\n0.368896 0.941251 0.070262 O\n0.941251 0.368896 0.070262 O\n0.379047 0.624070 0.745826 O\n0.624070 0.379047 0.745826 O\n0.620953 0.375930 0.245826 O\n0.375930 0.620953 0.245826 O\n0.927170 0.118118 0.713504 O\n0.118118 0.927170 0.713504 O\n0.072830 0.881882 0.213504 O\n0.881882 0.072830 0.213504 O\n",
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{
"id": "mp-1224929",
"created_at": "2022-09-04T14:41:14.684924Z",
"structure_string": "Ga2 Fe2 Ni2 O8\n1.0\n-2.981747 2.991861 4.203233\n2.981747 -2.991861 4.203233\n2.981747 2.991861 -4.203233\nGa Fe Ni O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.121740 0.871740 0.250000 Fe\n0.878260 0.128260 0.750000 Fe\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.252944 0.733448 0.980504 O\n0.252944 0.272440 0.519496 O\n0.245845 0.737510 0.508336 O\n0.729174 0.737510 0.991664 O\n0.747056 0.266552 0.019496 O\n0.747056 0.727560 0.480504 O\n0.754155 0.262490 0.491664 O\n0.270826 0.262490 0.008336 O\n",
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{
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