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{
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"structure_string": "La2 Fe24 O38\n1.0\n3.004230 -5.203478 0.000000\n3.004230 5.203478 0.000000\n0.000000 0.000000 23.084089\nLa Fe O\n2 24 38\ndirect\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n0.167466 0.832534 0.609402 Fe\n0.832534 0.167466 0.390598 Fe\n0.333333 0.666667 0.471856 Fe\n0.333333 0.666667 0.028144 Fe\n0.167466 0.334933 0.890598 Fe\n0.666667 0.333333 0.971856 Fe\n0.666667 0.333333 0.689942 Fe\n0.333333 0.666667 0.310058 Fe\n0.665067 0.832534 0.890598 Fe\n0.334933 0.167466 0.390598 Fe\n0.832534 0.665067 0.109402 Fe\n0.832534 0.167466 0.109402 Fe\n0.333333 0.666667 0.189942 Fe\n0.665067 0.832534 0.609402 Fe\n0.000000 0.000000 0.250000 Fe\n0.666667 0.333333 0.810058 Fe\n0.666667 0.333333 0.528144 Fe\n0.167466 0.334933 0.609402 Fe\n0.832534 0.665067 0.390598 Fe\n0.167466 0.832534 0.890598 Fe\n0.000000 0.000000 0.750000 Fe\n0.334933 0.167466 0.109402 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.512219 0.024439 0.156615 O\n0.839826 0.679652 0.557036 O\n0.634770 0.817385 0.250000 O\n0.024439 0.512219 0.843385 O\n0.365230 0.182615 0.750000 O\n0.512219 0.024439 0.343385 O\n0.839826 0.679652 0.942964 O\n0.320348 0.160174 0.942964 O\n0.000000 0.000000 0.845770 O\n0.182615 0.365230 0.250000 O\n0.487781 0.512219 0.656615 O\n0.000000 0.000000 0.154230 O\n0.679652 0.839826 0.057036 O\n0.160174 0.320348 0.442964 O\n0.160174 0.839826 0.057036 O\n0.839826 0.160174 0.557036 O\n0.817385 0.182615 0.750000 O\n0.333333 0.666667 0.556992 O\n0.487781 0.975561 0.656615 O\n0.975561 0.487781 0.156615 O\n0.487781 0.975561 0.843385 O\n0.333333 0.666667 0.943008 O\n0.000000 0.000000 0.345770 O\n0.839826 0.160174 0.942964 O\n0.679652 0.839826 0.442964 O\n0.487781 0.512219 0.843385 O\n0.666667 0.333333 0.056992 O\n0.512219 0.487781 0.343385 O\n0.000000 0.000000 0.654230 O\n0.975561 0.487781 0.343385 O\n0.182615 0.817385 0.250000 O\n0.024439 0.512219 0.656615 O\n0.320348 0.160174 0.557036 O\n0.512219 0.487781 0.156615 O\n0.666667 0.333333 0.443008 O\n0.160174 0.839826 0.442964 O\n0.817385 0.634770 0.750000 O\n0.160174 0.320348 0.057036 O\n",
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"spacegroup": 194
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{
"id": "mp-632812",
"created_at": "2022-09-04T14:43:09.672316Z",
"structure_string": "K2 H8 F10\n1.0\n-3.424520 3.424520 5.589326\n3.424520 -3.424520 5.589326\n3.424520 3.424520 -5.589326\nK H F\n2 8 10\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.159128 0.946290 0.608454 H\n0.337835 0.550674 0.391546 H\n0.300674 0.409128 0.712839 H\n0.696290 0.587835 0.287161 H\n0.590872 0.303710 0.891546 H\n0.412165 0.699326 0.108454 H\n0.449326 0.840872 0.787161 H\n0.053710 0.662165 0.212839 H\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.097547 0.072074 0.683677 F\n0.388397 0.413870 0.316323 F\n0.163870 0.347547 0.525473 F\n0.822074 0.638397 0.474527 F\n0.652453 0.177926 0.816323 F\n0.361603 0.836130 0.183677 F\n0.586130 0.902453 0.974527 F\n0.927926 0.611603 0.025473 F\n",
"nsites": 20,
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{
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"volume": 1261.9132210277598,
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{
"id": "mp-9841",
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"structure_string": "Er8 S12 O48\n1.0\n9.235733 0.000000 0.000000\n0.000000 9.324870 0.000000\n0.000000 0.000000 12.898776\nEr S O\n8 12 48\ndirect\n0.750513 0.464062 0.383458 Er\n0.750513 0.035938 0.616542 Er\n0.749487 0.964062 0.116542 Er\n0.749487 0.535938 0.883458 Er\n0.249487 0.535938 0.616542 Er\n0.249487 0.964062 0.383458 Er\n0.250513 0.035938 0.883458 Er\n0.250513 0.464062 0.116542 Er\n0.607934 0.389740 0.645565 S\n0.607934 0.110260 0.354435 S\n0.892066 0.889740 0.854435 S\n0.892066 0.610260 0.145565 S\n0.392066 0.610260 0.354435 S\n0.392066 0.889740 0.645565 S\n0.107934 0.110260 0.145565 S\n0.107934 0.389740 0.854435 S\n0.033774 0.250000 0.500000 S\n0.466226 0.750000 0.000000 S\n0.966226 0.750000 0.500000 S\n0.533774 0.250000 0.000000 S\n0.126740 0.349437 0.559408 O\n0.126740 0.150563 0.440592 O\n0.373260 0.849437 0.940592 O\n0.373260 0.650563 0.059408 O\n0.873260 0.650563 0.440592 O\n0.873260 0.849437 0.559408 O\n0.626740 0.150563 0.059408 O\n0.626740 0.349437 0.940592 O\n0.941904 0.331082 0.426285 O\n0.941904 0.168918 0.573715 O\n0.558096 0.831082 0.073715 O\n0.558096 0.668918 0.926285 O\n0.058096 0.668918 0.573715 O\n0.058096 0.831082 0.426285 O\n0.441904 0.168918 0.926285 O\n0.441904 0.331082 0.073715 O\n0.333930 0.571212 0.457553 O\n0.666070 0.428788 0.542447 O\n0.833930 0.928788 0.957553 O\n0.833930 0.571212 0.042447 O\n0.357810 0.762230 0.331159 O\n0.357810 0.737770 0.668841 O\n0.142190 0.262230 0.168841 O\n0.142190 0.237770 0.831159 O\n0.642190 0.237770 0.668841 O\n0.642190 0.262230 0.331159 O\n0.857810 0.737770 0.831159 O\n0.857810 0.762230 0.168841 O\n0.948773 0.408713 0.853279 O\n0.948773 0.091287 0.146721 O\n0.551227 0.908713 0.646721 O\n0.551227 0.591287 0.353279 O\n0.051227 0.591287 0.146721 O\n0.051227 0.908713 0.853279 O\n0.448773 0.091287 0.353279 O\n0.448773 0.408713 0.646721 O\n0.174238 0.484192 0.775154 O\n0.174238 0.015808 0.224846 O\n0.325762 0.984192 0.724846 O\n0.325762 0.515808 0.275154 O\n0.825762 0.515808 0.224846 O\n0.825762 0.984192 0.775154 O\n0.674238 0.015808 0.275154 O\n0.674238 0.484192 0.724846 O\n0.166070 0.428788 0.957553 O\n0.166070 0.071212 0.042447 O\n0.333930 0.928788 0.542447 O\n0.666070 0.071212 0.457553 O\n",
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{
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{
"id": "mp-1192538",
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"structure_string": "K4 Sn12 As12\n1.0\n0.000000 -4.174021 0.000000\n-10.406726 0.000000 0.000000\n0.000000 0.000000 -19.620978\nK Sn As\n4 12 12\ndirect\n0.750000 0.285009 0.958634 K\n0.750000 0.785009 0.541366 K\n0.250000 0.714991 0.041366 K\n0.250000 0.214991 0.458634 K\n0.750000 0.171311 0.648834 Sn\n0.750000 0.671311 0.851166 Sn\n0.250000 0.828689 0.351166 Sn\n0.250000 0.328689 0.148834 Sn\n0.750000 0.110182 0.258285 Sn\n0.750000 0.610182 0.241715 Sn\n0.250000 0.889818 0.741715 Sn\n0.250000 0.389818 0.758285 Sn\n0.750000 0.982352 0.121687 Sn\n0.750000 0.482352 0.378313 Sn\n0.250000 0.017648 0.878313 Sn\n0.250000 0.517648 0.621687 Sn\n0.750000 0.484377 0.120698 As\n0.750000 0.984377 0.379302 As\n0.250000 0.515623 0.879302 As\n0.250000 0.015623 0.620698 As\n0.750000 0.373765 0.568173 As\n0.750000 0.873765 0.931827 As\n0.250000 0.626235 0.431827 As\n0.250000 0.126235 0.068173 As\n0.750000 0.226424 0.781156 As\n0.750000 0.726424 0.718844 As\n0.250000 0.773576 0.218844 As\n0.250000 0.273576 0.281156 As\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Lu10 Cu2 Pb6\n1.0\n4.508650 -7.809212 0.000000\n4.508650 7.809212 0.000000\n0.000000 0.000000 6.647097\nLu Cu Pb\n10 2 6\ndirect\n0.249075 0.000000 0.750000 Lu\n0.750925 0.000000 0.250000 Lu\n0.000000 0.249075 0.750000 Lu\n0.000000 0.750925 0.250000 Lu\n0.750925 0.750925 0.750000 Lu\n0.249075 0.249075 0.250000 Lu\n0.333333 0.666667 0.500000 Lu\n0.666667 0.333333 0.500000 Lu\n0.666667 0.333333 0.000000 Lu\n0.333333 0.666667 0.000000 Lu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.603891 0.000000 0.750000 Pb\n0.396109 0.000000 0.250000 Pb\n0.000000 0.603891 0.750000 Pb\n0.000000 0.396109 0.250000 Pb\n0.396109 0.396109 0.750000 Pb\n0.603891 0.603891 0.250000 Pb\n",
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}