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{
"id": "mp-1035725",
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{
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"structure_string": "K2 Na1 Dy1 Cl6\n1.0\n0.000000 5.362082 5.362082\n5.362082 0.000000 5.362082\n5.362082 5.362082 0.000000\nK Na Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Dy\n0.755051 0.244949 0.244949 Cl\n0.244949 0.244949 0.755051 Cl\n0.244949 0.755051 0.755051 Cl\n0.244949 0.755051 0.244949 Cl\n0.755051 0.244949 0.755051 Cl\n0.755051 0.755051 0.244949 Cl\n",
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"formula_full": "K2 Na1 Dy1 Cl6",
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"updated_at": "2021-11-28T01:35:26.401000Z",
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{
"id": "mp-1378195",
"created_at": "2022-09-04T14:41:14.521006Z",
"structure_string": "Al4 Mo4 O14\n1.0\n6.681591 0.000000 0.000000\n2.817502 6.134736 0.000000\n2.755821 1.750212 5.927739\nAl Mo O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.610950 0.152874 0.606875 O\n0.389050 0.847126 0.393125 O\n0.882546 0.843772 0.405181 O\n0.679844 0.684251 0.988074 O\n0.991314 0.836593 0.821113 O\n0.345926 0.882703 0.895750 O\n0.828854 0.505763 0.317588 O\n0.355883 0.478147 0.319599 O\n0.320156 0.315749 0.011926 O\n0.171146 0.494237 0.682412 O\n0.654074 0.117297 0.104250 O\n0.117454 0.156228 0.594819 O\n0.644117 0.521853 0.680401 O\n0.008686 0.163407 0.178887 O\n",
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"formula_full": "Al4 Mo4 O14",
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{
"id": "mp-1203081",
"created_at": "2022-09-04T14:41:14.528390Z",
"structure_string": "Cs8 Te16 O36\n1.0\n-5.481408 5.481408 10.453579\n5.481408 -5.481408 10.453579\n5.481408 5.481408 -10.453579\nCs Te O\n8 16 36\ndirect\n0.375000 0.403371 0.528371 Cs\n0.875000 0.846629 0.471629 Cs\n0.153371 0.625000 0.028371 Cs\n0.596629 0.125000 0.971629 Cs\n0.505174 0.005174 0.500000 Cs\n0.244826 0.244826 0.000000 Cs\n0.994826 0.494826 0.500000 Cs\n0.755174 0.755174 0.000000 Cs\n0.183359 0.935335 0.996994 Te\n0.566641 0.063635 0.251976 Te\n0.938341 0.186365 0.003006 Te\n0.811659 0.314665 0.748024 Te\n0.813635 0.816641 0.751976 Te\n0.936365 0.188341 0.503006 Te\n0.064665 0.061659 0.248024 Te\n0.685335 0.433359 0.496994 Te\n0.463241 0.707229 0.027432 Te\n0.286759 0.814191 0.743988 Te\n0.679798 0.435809 0.972568 Te\n0.070202 0.542771 0.256012 Te\n0.564191 0.536759 0.243988 Te\n0.185809 0.929798 0.472568 Te\n0.292771 0.320202 0.756012 Te\n0.457229 0.713241 0.527432 Te\n0.524609 0.719745 0.211135 O\n0.225391 0.936527 0.695136 O\n0.508610 0.313473 0.788865 O\n0.241390 0.530255 0.304864 O\n0.686527 0.475391 0.195136 O\n0.063473 0.758610 0.288865 O\n0.280255 0.491390 0.804864 O\n0.469745 0.774609 0.711135 O\n0.045593 0.806502 0.896080 O\n0.704407 0.100488 0.260909 O\n0.910422 0.149512 0.103920 O\n0.839578 0.443498 0.739091 O\n0.850488 0.954407 0.760909 O\n0.899512 0.160422 0.603920 O\n0.193498 0.089578 0.239091 O\n0.556502 0.295593 0.396080 O\n0.340390 0.879002 0.113294 O\n0.409610 0.022903 0.038612 O\n0.765708 0.227097 0.886706 O\n0.984292 0.370998 0.961388 O\n0.772903 0.659610 0.538612 O\n0.977097 0.015708 0.386706 O\n0.120998 0.234292 0.461388 O\n0.629002 0.590390 0.613294 O\n0.151607 0.812248 0.768925 O\n0.598393 0.867318 0.160641 O\n0.043323 0.382682 0.231075 O\n0.706677 0.437752 0.839359 O\n0.617318 0.848393 0.660641 O\n0.132682 0.293323 0.731075 O\n0.187752 0.956677 0.339359 O\n0.562248 0.401607 0.268925 O\n0.603246 0.603246 0.000000 O\n0.146754 0.646754 0.500000 O\n0.396754 0.396754 0.000000 O\n0.353246 0.853246 0.500000 O\n",
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"elements": [
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"density": 4.8650203327355,
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"volume": 1256.345983245707,
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"formula_full": "Cs8 Te16 O36",
"formula_reduced": "Cs2Te4O9",
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"energy": -336.22157563,
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{
"id": "mp-1247631",
"created_at": "2022-09-04T14:41:14.530959Z",
"structure_string": "Ca8 Mn8 O20\n1.0\n0.086029 -0.005501 -5.606879\n0.023697 -7.648006 -0.002187\n-11.022438 0.036968 0.175087\nCa Mn O\n8 8 20\ndirect\n0.967164 0.776699 0.000598 Ca\n0.047641 0.744581 0.457653 Ca\n0.036043 0.254952 0.481106 Ca\n0.979405 0.233975 0.040119 Ca\n0.460907 0.210212 0.757911 Ca\n0.478714 0.249636 0.241996 Ca\n0.508013 0.757856 0.773296 Ca\n0.492082 0.755147 0.218200 Ca\n0.478531 0.009024 0.004288 Mn\n0.543572 0.019722 0.494162 Mn\n0.959399 0.996505 0.757486 Mn\n0.002235 0.995996 0.253776 Mn\n0.081514 0.508130 0.731344 Mn\n0.991771 0.507173 0.243310 Mn\n0.470665 0.493452 0.005437 Mn\n0.508153 0.507690 0.486728 Mn\n0.823809 0.494052 0.414326 O\n0.298338 0.626363 0.601898 O\n0.153371 0.532298 0.090905 O\n0.394065 0.484937 0.836201 O\n0.290741 0.545821 0.339564 O\n0.693726 0.459153 0.145805 O\n0.671228 0.980023 0.651984 O\n0.700139 0.031762 0.144043 O\n0.259739 0.981371 0.849850 O\n0.319751 0.954147 0.370032 O\n0.204895 0.964707 0.111767 O\n0.743502 0.059937 0.901164 O\n0.838803 0.010482 0.408100 O\n0.392759 0.248646 0.019910 O\n0.442351 0.254827 0.526005 O\n0.549356 0.746442 0.998052 O\n0.922446 0.733145 0.784128 O\n0.914098 0.750353 0.247600 O\n0.034386 0.240017 0.700113 O\n0.062957 0.251021 0.255904 O\n",
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{
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"created_at": "2022-09-04T14:41:14.537577Z",
"structure_string": "Li4 Ti2 V10 O24\n1.0\n-1.605426 1.421813 5.307778\n6.808564 -0.639423 -0.069485\n-1.116559 11.986828 -5.220872\nLi Ti V O\n4 2 10 24\ndirect\n0.407159 0.308434 0.155407 Li\n0.891851 0.302989 0.652688 Li\n0.083639 0.695215 0.354381 Li\n0.600349 0.687459 0.847548 Li\n0.716948 0.924501 0.461062 Ti\n0.213554 0.923839 0.963303 Ti\n0.499485 0.166240 0.816569 V\n0.906454 0.629472 0.086444 V\n0.575659 0.376545 0.418655 V\n0.098752 0.360130 0.915705 V\n0.991998 0.838823 0.682244 V\n0.790336 0.072925 0.037879 V\n0.300822 0.092108 0.542554 V\n0.973053 0.162661 0.315463 V\n0.381689 0.659109 0.600759 V\n0.493252 0.819754 0.174564 V\n0.056013 0.997773 0.405586 O\n0.544536 0.973024 0.904028 O\n0.366858 0.806098 0.488162 O\n0.849881 0.803149 0.987446 O\n0.886972 0.025884 0.173143 O\n0.377494 0.004452 0.677495 O\n0.815722 0.349965 0.012187 O\n0.344478 0.389052 0.520978 O\n0.139973 0.183252 0.019365 O\n0.647688 0.198175 0.506676 O\n0.477902 0.040909 0.094094 O\n0.957998 0.039153 0.594112 O\n0.876080 0.381367 0.347366 O\n0.398497 0.387655 0.845604 O\n0.142387 0.690075 0.199096 O\n0.641902 0.698499 0.699370 O\n0.336268 0.299246 0.306044 O\n0.829274 0.285631 0.799199 O\n0.610194 0.588975 0.139877 O\n0.084214 0.590688 0.646201 O\n0.740850 0.662156 0.467207 O\n0.203102 0.657750 0.990024 O\n0.628390 0.956920 0.320964 O\n0.118332 0.969951 0.830550 O\n",
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{
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{
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}