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{
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"results": [
{
"id": "mp-759502",
"created_at": "2022-09-04T14:39:06.815519Z",
"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n5.198991 0.000000 0.000000\n-1.966875 7.097018 0.000000\n-1.724824 -2.875271 9.630246\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.351937 0.128903 0.279266 Li\n0.648063 0.871097 0.720734 Li\n0.744578 0.743201 0.248848 V\n0.255422 0.256799 0.751152 V\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.613764 0.286047 0.063029 P\n0.888858 0.207513 0.437384 P\n0.111142 0.792487 0.562616 P\n0.386236 0.713953 0.936971 P\n0.148754 0.794992 0.142304 H\n0.329991 0.682738 0.345508 H\n0.670009 0.317262 0.654492 H\n0.851246 0.205008 0.857696 H\n0.790669 0.157429 0.088018 O\n0.344771 0.219164 0.108408 O\n0.439468 0.715962 0.093434 O\n0.777369 0.502432 0.152984 O\n0.709536 0.998939 0.342052 O\n0.034842 0.881296 0.162520 O\n0.163832 0.269306 0.396920 O\n0.481010 0.625189 0.343777 O\n0.711997 0.339547 0.411728 O\n0.063052 0.789359 0.406143 O\n0.936948 0.210641 0.593857 O\n0.288003 0.660453 0.588272 O\n0.518990 0.374811 0.656223 O\n0.836168 0.730694 0.603080 O\n0.965158 0.118704 0.837480 O\n0.290464 0.001061 0.657948 O\n0.222631 0.497568 0.847016 O\n0.560532 0.284038 0.906566 O\n0.655229 0.780836 0.891592 O\n0.209331 0.842571 0.911982 O\n",
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},
{
"id": "mp-1223941",
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"structure_string": "K1 Co2 O4\n1.0\n-1.612424 -2.518611 0.000000\n-1.612424 2.518611 0.000000\n0.000000 0.000000 -12.089650\nK Co O\n1 2 4\ndirect\n0.332883 0.667117 0.750000 K\n0.997906 0.002094 0.496462 Co\n0.997906 0.002094 0.003538 Co\n0.689450 0.310550 0.589085 O\n0.312853 0.687147 0.425844 O\n0.312853 0.687147 0.074156 O\n0.689450 0.310550 0.910915 O\n",
"nsites": 7,
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"elements": [
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"formula_full": "K1 Co2 O4",
"formula_reduced": "K(CoO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 38
},
{
"id": "mp-1222030",
"created_at": "2022-09-04T14:39:06.828826Z",
"structure_string": "Mn4 Fe8 P8 O44\n1.0\n7.920902 0.000000 0.000000\n0.000000 9.546198 0.000000\n0.000000 0.000000 9.673987\nMn Fe P O\n4 8 8 44\ndirect\n0.359977 0.383333 0.792417 Mn\n0.859977 0.616667 0.207583 Mn\n0.859977 0.116667 0.292417 Mn\n0.359977 0.883333 0.707583 Mn\n0.998810 0.502081 0.751235 Fe\n0.498810 0.997919 0.251235 Fe\n0.498810 0.497919 0.248765 Fe\n0.998810 0.002081 0.748765 Fe\n0.137492 0.879884 0.208131 Fe\n0.637492 0.120116 0.791869 Fe\n0.637492 0.620116 0.708131 Fe\n0.137492 0.379884 0.291869 Fe\n0.715439 0.392416 0.961752 P\n0.784713 0.892806 0.043079 P\n0.215439 0.607584 0.038248 P\n0.284713 0.107194 0.956921 P\n0.284713 0.607194 0.543079 P\n0.215439 0.107584 0.461752 P\n0.784713 0.392806 0.456921 P\n0.715439 0.892416 0.538248 P\n0.582569 0.470755 0.866578 O\n0.912778 0.975097 0.140279 O\n0.082569 0.529245 0.133422 O\n0.412778 0.024903 0.859721 O\n0.412778 0.524903 0.640279 O\n0.082569 0.029245 0.366578 O\n0.912778 0.475097 0.359721 O\n0.582569 0.970755 0.633422 O\n0.674777 0.234285 0.962055 O\n0.831398 0.734462 0.049967 O\n0.174777 0.765715 0.037945 O\n0.331398 0.265538 0.950033 O\n0.331398 0.765538 0.549967 O\n0.174777 0.265715 0.462055 O\n0.831398 0.234462 0.450033 O\n0.674777 0.734285 0.537945 O\n0.857299 0.149492 0.720606 O\n0.650363 0.654553 0.275205 O\n0.357299 0.850508 0.279394 O\n0.150363 0.345447 0.724795 O\n0.150363 0.845447 0.775205 O\n0.357299 0.350508 0.220606 O\n0.650363 0.154553 0.224795 O\n0.857299 0.649492 0.779394 O\n0.489319 0.255891 0.704922 O\n0.989319 0.744109 0.295078 O\n0.489319 0.755891 0.795078 O\n0.989319 0.244109 0.204922 O\n0.709405 0.453614 0.111307 O\n0.796828 0.943176 0.891628 O\n0.209405 0.546386 0.888693 O\n0.296828 0.056824 0.108372 O\n0.296828 0.556824 0.391628 O\n0.209405 0.046386 0.611307 O\n0.796828 0.443176 0.608372 O\n0.709405 0.953614 0.388693 O\n0.895503 0.411942 0.904468 O\n0.603330 0.913622 0.094439 O\n0.395503 0.588058 0.095532 O\n0.103330 0.086378 0.905561 O\n0.103330 0.586378 0.594439 O\n0.395503 0.088058 0.404468 O\n0.603330 0.413622 0.405561 O\n0.895503 0.911942 0.595532 O\n",
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"volume": 731.4936786987009,
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"formula_full": "Mn4 Fe8 P8 O44",
"formula_reduced": "MnFe2P2O11",
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"energy": -487.24668271,
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"spacegroup": 33
},
{
"id": "mp-1290773",
"created_at": "2022-09-04T14:39:06.263549Z",
"structure_string": "Li2 Fe4 C8 O24\n1.0\n-1.993804 -2.134546 -4.606720\n-7.532970 6.472822 -0.860578\n7.571351 4.847917 -4.439178\nLi Fe C O\n2 4 8 24\ndirect\n0.407696 0.357589 0.178442 Li\n0.913391 0.854618 0.679506 Li\n0.359214 0.010545 0.507522 Fe\n0.601850 0.485754 0.487318 Fe\n0.843738 0.511911 0.005839 Fe\n0.105223 0.987725 0.989778 Fe\n0.950012 0.704170 0.918071 C\n0.456745 0.203818 0.419562 C\n0.711374 0.417924 0.704789 C\n0.217420 0.914393 0.206640 C\n0.712994 0.576642 0.293414 C\n0.213954 0.075640 0.791844 C\n0.912020 0.284597 0.075244 C\n0.416532 0.781214 0.573121 C\n0.005589 0.808689 0.870154 O\n0.505053 0.307918 0.368884 O\n0.723829 0.675410 0.915627 O\n0.232472 0.170089 0.413466 O\n0.490187 0.410392 0.645560 O\n0.994340 0.909604 0.152309 O\n0.865991 0.457179 0.632113 O\n0.370089 0.952101 0.130307 O\n0.770965 0.389049 0.821046 O\n0.288475 0.885524 0.321695 O\n0.116471 0.623895 0.968384 O\n0.625625 0.127571 0.473851 O\n0.774028 0.620911 0.192258 O\n0.291212 0.118613 0.693967 O\n0.693747 0.348289 0.071953 O\n0.202054 0.849563 0.573622 O\n0.866511 0.552717 0.393309 O\n0.363160 0.052634 0.896045 O\n0.486152 0.550121 0.305339 O\n0.987537 0.049371 0.798992 O\n0.093646 0.357604 0.063633 O\n0.602787 0.849091 0.558426 O\n0.946386 0.160098 0.089564 O\n0.437057 0.657093 0.588979 O\n",
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],
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"formula_full": "Li2 Fe4 C8 O24",
"formula_reduced": "LiFe2(CO3)4",
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"energy": -294.95861428,
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{
"id": "mp-1219439",
"created_at": "2022-09-04T14:39:07.147862Z",
"structure_string": "Sc12 Fe8 Si24\n1.0\n5.070517 0.000000 0.000000\n2.535258 9.216206 0.000000\n0.000000 0.000000 14.428049\nSc Fe Si\n12 8 24\ndirect\n0.534627 0.930747 0.822778 Sc\n0.465373 0.069253 0.177222 Sc\n0.965373 0.069253 0.322778 Sc\n0.034627 0.930747 0.677222 Sc\n0.789201 0.421598 0.819226 Sc\n0.210799 0.578402 0.180774 Sc\n0.710799 0.578402 0.319226 Sc\n0.289201 0.421598 0.680774 Sc\n0.875228 0.249544 0.590048 Sc\n0.124772 0.750456 0.409952 Sc\n0.624772 0.750456 0.090048 Sc\n0.375228 0.249544 0.909952 Sc\n0.955693 0.088614 0.878541 Fe\n0.044307 0.911386 0.121459 Fe\n0.544307 0.911386 0.378541 Fe\n0.455693 0.088614 0.621459 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641412 0.717177 0.490257 Si\n0.358588 0.282823 0.509743 Si\n0.858588 0.282823 0.990257 Si\n0.141412 0.717177 0.009743 Si\n0.662020 0.175961 0.750000 Si\n0.837980 0.824039 0.250000 Si\n0.337980 0.824039 0.250000 Si\n0.162020 0.175961 0.750000 Si\n0.248854 0.000000 0.500000 Si\n0.748854 0.000000 0.000000 Si\n0.751146 0.000000 0.500000 Si\n0.251146 0.000000 0.000000 Si\n0.726999 0.546001 0.635274 Si\n0.273001 0.453999 0.364726 Si\n0.773001 0.453999 0.135274 Si\n0.226999 0.546001 0.864726 Si\n0.587392 0.825216 0.643847 Si\n0.412608 0.174784 0.356153 Si\n0.912608 0.174784 0.143847 Si\n0.087392 0.825216 0.856153 Si\n0.663405 0.673190 0.913210 Si\n0.336595 0.326810 0.086790 Si\n0.836595 0.326810 0.413210 Si\n0.163405 0.673190 0.586790 Si\n",
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{
"id": "mp-1174271",
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"structure_string": "Li7 Co5 O12\n1.0\n2.878531 0.000000 0.000000\n-1.375095 7.529383 0.000000\n-0.067319 -1.818874 9.611579\nLi Co O\n7 5 12\ndirect\n0.750535 0.000269 0.748532 Li\n0.249465 0.999731 0.251468 Li\n0.421253 0.340644 0.755618 Li\n0.921032 0.336341 0.247830 Li\n0.078968 0.663659 0.752170 Li\n0.578747 0.659356 0.244382 Li\n0.000000 0.500000 0.000000 Li\n0.670510 0.825830 0.997544 Co\n0.329490 0.174170 0.002456 Co\n0.165492 0.833114 0.497664 Co\n0.834508 0.166886 0.502336 Co\n0.500000 0.500000 0.500000 Co\n0.215762 0.920019 0.895938 O\n0.708640 0.917163 0.378857 O\n0.872984 0.235371 0.891140 O\n0.380627 0.259538 0.387786 O\n0.552187 0.609323 0.884516 O\n0.040226 0.580465 0.383304 O\n0.291360 0.082837 0.621143 O\n0.784238 0.079981 0.104062 O\n0.959774 0.419535 0.616696 O\n0.447813 0.390677 0.115484 O\n0.619373 0.740462 0.612214 O\n0.127016 0.764629 0.108860 O\n",
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{
"id": "mp-1227640",
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"structure_string": "Ce4 Al1 Co25\n1.0\n2.405001 -20.876412 0.000000\n2.405001 20.876412 0.000000\n0.000000 0.000000 4.029266\nCe Al Co\n4 1 25\ndirect\n0.401679 0.598321 0.000000 Ce\n0.800231 0.199769 0.000000 Ce\n0.199769 0.800231 0.000000 Ce\n0.598321 0.401679 0.000000 Ce\n0.000000 0.000000 0.000000 Al\n0.939365 0.060635 0.000000 Co\n0.333570 0.666431 0.000000 Co\n0.733387 0.266613 0.000000 Co\n0.132791 0.867209 0.000000 Co\n0.529979 0.470021 0.000000 Co\n0.470021 0.529979 0.000000 Co\n0.867209 0.132791 0.000000 Co\n0.266613 0.733387 0.000000 Co\n0.666430 0.333569 0.000000 Co\n0.060635 0.939365 0.000000 Co\n0.901139 0.098861 0.500000 Co\n0.300124 0.699876 0.500000 Co\n0.699876 0.300124 0.500000 Co\n0.098861 0.901139 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.710793 0.805418 0.500000 Co\n0.100283 0.399273 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.899717 0.600727 0.500000 Co\n0.289207 0.194582 0.500000 Co\n0.194582 0.289207 0.500000 Co\n0.600727 0.899717 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.399273 0.100283 0.500000 Co\n0.805418 0.710793 0.500000 Co\n",
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{
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"structure_string": "K1 Rb1 Mn1 F6\n1.0\n0.000000 4.272036 4.272036\n4.272036 0.000000 4.272036\n4.272036 4.272036 0.000000\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.783537 0.783537 0.216463 F\n0.216463 0.783537 0.216463 F\n0.783537 0.216463 0.216463 F\n0.216463 0.216463 0.783537 F\n0.783537 0.216463 0.783537 F\n0.216463 0.783537 0.783537 F\n",
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{
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