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{
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{
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"structure_string": "Ag1 Sb1 S2\n1.0\n6.414830 -1.988111 0.000000\n6.414830 1.988111 0.000000\n5.798666 0.000000 3.387935\nAg Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.250137 0.250137 0.250137 S\n0.749863 0.749863 0.749863 S\n",
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{
"id": "mp-1110706",
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"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n0.000000 5.550356 5.550356\n5.550356 0.000000 5.550356\n5.550356 5.550356 0.000000\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.748172 0.251828 0.251828 Br\n0.251828 0.251828 0.748172 Br\n0.251828 0.748172 0.748172 Br\n0.251828 0.748172 0.251828 Br\n0.748172 0.251828 0.748172 Br\n0.748172 0.748172 0.251828 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Li1 Y1 Br6",
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"updated_at": "2021-11-28T01:36:14.261000Z",
"spacegroup": 225
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{
"id": "mp-27411",
"created_at": "2022-09-04T14:43:13.668910Z",
"structure_string": "Tl4 P20\n1.0\n6.521197 0.000000 0.000000\n0.000000 7.263565 0.000000\n0.000000 0.000000 12.395946\nTl P\n4 20\ndirect\n0.500000 0.031439 0.339857 Tl\n0.500000 0.968561 0.839857 Tl\n0.000000 0.775203 0.501132 Tl\n0.000000 0.224797 0.001132 Tl\n0.500000 0.357414 0.041940 P\n0.500000 0.642586 0.541940 P\n0.500000 0.390138 0.214788 P\n0.500000 0.609862 0.714788 P\n0.249269 0.228537 0.610408 P\n0.750731 0.771463 0.110408 P\n0.750731 0.228537 0.610408 P\n0.249269 0.771463 0.110408 P\n0.254092 0.411283 0.759571 P\n0.745908 0.588717 0.259571 P\n0.745908 0.411283 0.759571 P\n0.254092 0.588717 0.259571 P\n0.000000 0.612687 0.730390 P\n0.000000 0.387313 0.230390 P\n0.000000 0.812336 0.862446 P\n0.000000 0.187664 0.362446 P\n0.000000 0.642994 0.009851 P\n0.000000 0.357006 0.509851 P\n0.500000 0.347643 0.511338 P\n0.500000 0.652357 0.011338 P\n",
"nsites": 24,
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"elements": [
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},
{
"id": "mp-1209260",
"created_at": "2022-09-04T14:43:13.668472Z",
"structure_string": "Rb4 Tb4 P8 O28\n1.0\n-7.621926 0.000000 2.079263\n0.039716 0.000000 -8.856638\n0.000000 -11.135928 0.000000\nRb Tb P O\n4 4 8 28\ndirect\n0.818466 0.943542 0.317981 Rb\n0.181534 0.056458 0.682019 Rb\n0.181534 0.556458 0.817981 Rb\n0.818466 0.443542 0.182019 Rb\n0.761977 0.742530 0.900685 Tb\n0.238023 0.257470 0.099315 Tb\n0.238023 0.757470 0.400685 Tb\n0.761977 0.242530 0.599315 Tb\n0.566760 0.808222 0.633164 P\n0.433240 0.191778 0.366836 P\n0.433240 0.691778 0.133164 P\n0.566760 0.308222 0.866836 P\n0.867546 0.676953 0.598200 P\n0.132454 0.323047 0.401800 P\n0.132454 0.823047 0.098200 P\n0.867546 0.176953 0.901800 P\n0.385550 0.765670 0.574322 O\n0.614450 0.234330 0.425678 O\n0.614450 0.734330 0.074322 O\n0.385550 0.265670 0.925678 O\n0.918640 0.741506 0.725172 O\n0.081360 0.258494 0.274828 O\n0.081360 0.758494 0.225172 O\n0.918640 0.241506 0.774828 O\n0.552520 0.761099 0.765841 O\n0.447480 0.238901 0.234159 O\n0.447480 0.738901 0.265841 O\n0.552520 0.261099 0.734159 O\n0.670723 0.977404 0.608293 O\n0.329277 0.022596 0.391707 O\n0.329277 0.522596 0.108293 O\n0.670723 0.477404 0.891707 O\n0.849703 0.002111 0.909985 O\n0.150297 0.997889 0.090015 O\n0.150297 0.497889 0.409985 O\n0.849703 0.502111 0.590015 O\n0.673833 0.698037 0.565343 O\n0.326167 0.301963 0.434657 O\n0.326167 0.801963 0.065343 O\n0.673833 0.198037 0.934657 O\n0.008342 0.726886 0.003212 O\n0.991658 0.273114 0.996788 O\n0.991658 0.773114 0.503212 O\n0.008342 0.226886 0.496788 O\n",
"nsites": 44,
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"elements": [
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"density": 3.7008918323477764,
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"volume": 750.8071994852259,
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"formula_full": "Rb4 Tb4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-1206743",
"created_at": "2022-09-04T14:43:13.668707Z",
"structure_string": "Hf1 S1\n1.0\n1.696749 -2.938855 0.000000\n1.696749 2.938855 0.000000\n0.000000 0.000000 3.445095\nHf S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.500000 S\n",
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"volume": 34.35792749056521,
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"formula_full": "Hf1 S1",
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},
{
"id": "mp-1235262",
"created_at": "2022-09-04T14:43:13.674860Z",
"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n7.386871 -0.101250 0.243873\n2.421122 8.181260 1.266751\n-0.478621 -0.180128 9.579564\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.500000 0.000000 0.000000 Li\n0.518308 0.638768 0.637178 Nb\n0.481692 0.361232 0.362822 Nb\n0.168867 0.911760 0.167999 Te\n0.061685 0.206026 0.995579 Te\n0.938315 0.793974 0.004421 Te\n0.831133 0.088240 0.832001 Te\n0.446666 0.168754 0.179877 Cl\n0.403357 0.484843 0.817035 Cl\n0.784132 0.189681 0.419377 Cl\n0.165606 0.527020 0.280351 Cl\n0.596643 0.515157 0.182965 Cl\n0.336410 0.206994 0.517058 Cl\n0.834394 0.472980 0.719649 Cl\n0.663590 0.793006 0.482942 Cl\n0.215868 0.810319 0.580623 Cl\n0.553334 0.831246 0.820123 Cl\n0.500000 0.500000 0.500000 O\n",
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],
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"formula_full": "Li1 Nb2 Te4 Cl10 O1",
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{
"id": "mp-672209",
"created_at": "2022-09-04T14:43:13.695410Z",
"structure_string": "Rb8 C8 S8 O24 F24\n1.0\n12.110539 10.135023 0.000000\n-12.110539 10.135023 0.000000\n0.000000 1.132496 5.168557\nRb C S O F\n8 8 8 24 24\ndirect\n0.887138 0.132022 0.491746 Rb\n0.089402 0.598658 0.510975 Rb\n0.598658 0.089402 0.510975 Rb\n0.872557 0.872557 0.484228 Rb\n0.599277 0.347834 0.505897 Rb\n0.321216 0.321216 0.509352 Rb\n0.132022 0.887138 0.491746 Rb\n0.347834 0.599277 0.505897 Rb\n0.369418 0.792344 0.882761 C\n0.074453 0.380313 0.110504 C\n0.792344 0.369418 0.882761 C\n0.380313 0.074453 0.110504 C\n0.864402 0.638533 0.161811 C\n0.128905 0.128905 0.832335 C\n0.578875 0.578875 0.807988 C\n0.638533 0.864402 0.161811 C\n0.034687 0.034687 0.886359 S\n0.759740 0.247070 0.905736 S\n0.436311 0.191570 0.052868 S\n0.191570 0.436311 0.052868 S\n0.727460 0.964116 0.084373 S\n0.964116 0.727460 0.084373 S\n0.247070 0.759740 0.905736 S\n0.487353 0.487353 0.963808 S\n0.213669 0.831056 0.007639 O\n0.741561 0.982824 0.341529 O\n0.934668 0.799532 0.941487 O\n0.022409 0.022409 0.622607 O\n0.196498 0.497213 0.814806 O\n0.454768 0.454768 0.742016 O\n0.675592 0.226843 0.076062 O\n0.239455 0.366026 0.026567 O\n0.201246 0.476108 0.283235 O\n0.689654 0.028436 0.936183 O\n0.799532 0.934668 0.941487 O\n0.497213 0.196498 0.814806 O\n0.066786 0.964622 0.029269 O\n0.831056 0.213669 0.007639 O\n0.028436 0.689654 0.936183 O\n0.529658 0.427942 0.114576 O\n0.982824 0.741561 0.341529 O\n0.754759 0.236335 0.636455 O\n0.427942 0.529658 0.114576 O\n0.964622 0.066786 0.029269 O\n0.476108 0.201246 0.283235 O\n0.226843 0.675592 0.076062 O\n0.236335 0.754759 0.636455 O\n0.366026 0.239455 0.026567 O\n0.561650 0.884181 0.262359 F\n0.048655 0.362413 0.886540 F\n0.749821 0.412135 0.712296 F\n0.412135 0.749821 0.712296 F\n0.770306 0.394337 0.115661 F\n0.432631 0.022589 0.210694 F\n0.878744 0.399554 0.801800 F\n0.059205 0.304230 0.279785 F\n0.548709 0.639696 0.655541 F\n0.802654 0.657897 0.338256 F\n0.110715 0.201313 0.695596 F\n0.657897 0.802654 0.338256 F\n0.394337 0.770306 0.115661 F\n0.201313 0.110715 0.695596 F\n0.829153 0.626674 0.946570 F\n0.618575 0.618575 0.983250 F\n0.626674 0.829153 0.946570 F\n0.148430 0.148430 0.060913 F\n0.884181 0.561650 0.262359 F\n0.022589 0.432631 0.210694 F\n0.304230 0.059205 0.279785 F\n0.399554 0.878744 0.801800 F\n0.639696 0.548709 0.655541 F\n0.362413 0.048655 0.886540 F\n",
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{
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{
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{
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}