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{
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{
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{
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"structure_string": "Y6 H18\n1.0\n3.171796 -5.493711 0.000000\n3.171796 5.493711 0.000000\n0.000000 0.000000 6.614585\nY H\n6 18\ndirect\n0.663129 0.663129 0.750000 Y\n0.000000 0.336871 0.750000 Y\n0.336871 0.000000 0.750000 Y\n0.336871 0.336871 0.250000 Y\n0.000000 0.663129 0.250000 Y\n0.663129 0.000000 0.250000 Y\n0.333333 0.666667 0.685385 H\n0.666667 0.333333 0.814615 H\n0.666667 0.333333 0.314615 H\n0.333333 0.666667 0.185385 H\n0.000000 0.000000 0.750000 H\n0.000000 0.000000 0.250000 H\n0.350325 0.028811 0.092058 H\n0.971189 0.321514 0.092058 H\n0.678486 0.649675 0.092058 H\n0.321514 0.971189 0.407942 H\n0.649675 0.678486 0.407942 H\n0.028811 0.350325 0.407942 H\n0.649675 0.971189 0.907942 H\n0.028811 0.678486 0.907942 H\n0.321514 0.350325 0.907942 H\n0.678486 0.028811 0.592058 H\n0.350325 0.321514 0.592058 H\n0.971189 0.649675 0.592058 H\n",
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{
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"structure_string": "K8 Ba2 V4 S16\n1.0\n-4.546993 5.016049 9.326261\n4.546993 -5.016049 9.326261\n4.546993 5.016049 -9.326261\nK Ba V S\n8 2 4 16\ndirect\n0.498514 0.248514 0.250000 K\n0.001486 0.751486 0.250000 K\n0.577142 0.703092 0.125950 K\n0.422858 0.296908 0.874050 K\n0.501486 0.751486 0.750000 K\n0.077142 0.451192 0.374050 K\n0.922858 0.548808 0.625950 K\n0.998514 0.248514 0.750000 K\n0.250000 0.000000 0.250000 Ba\n0.750000 0.000000 0.750000 Ba\n0.134045 0.925463 0.791418 V\n0.865955 0.074537 0.208582 V\n0.365955 0.657373 0.291418 V\n0.634045 0.342627 0.708582 V\n0.587530 0.603781 0.368101 S\n0.751375 0.983502 0.232127 S\n0.892384 0.868476 0.976092 S\n0.764320 0.396219 0.983749 S\n0.735680 0.219429 0.131899 S\n0.748625 0.480752 0.732127 S\n0.248625 0.016498 0.767873 S\n0.235680 0.603781 0.016251 S\n0.251375 0.519248 0.267873 S\n0.264320 0.780571 0.868101 S\n0.107616 0.131524 0.023908 S\n0.912470 0.780571 0.516251 S\n0.087530 0.219429 0.483749 S\n0.607616 0.083708 0.476092 S\n0.412470 0.396219 0.631899 S\n0.392384 0.916292 0.523908 S\n",
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{
"id": "mp-1214621",
"created_at": "2022-09-04T14:41:26.018510Z",
"structure_string": "Ba6 Ta4 Ti12 O42\n1.0\n4.527535 -7.841920 0.000000\n4.527535 7.841920 0.000000\n0.000000 0.000000 11.943600\nBa Ta Ti O\n6 4 12 42\ndirect\n0.595616 0.000000 0.750000 Ba\n0.404384 0.000000 0.250000 Ba\n0.000000 0.595616 0.750000 Ba\n0.000000 0.404384 0.250000 Ba\n0.404384 0.404384 0.750000 Ba\n0.595616 0.595616 0.250000 Ba\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.333333 0.666667 0.000000 Ta\n0.236970 0.000000 0.595872 Ti\n0.763030 0.000000 0.404128 Ti\n0.000000 0.236970 0.595872 Ti\n0.763030 0.000000 0.095872 Ti\n0.000000 0.236970 0.904128 Ti\n0.000000 0.763030 0.404128 Ti\n0.236970 0.000000 0.904128 Ti\n0.000000 0.763030 0.095872 Ti\n0.763030 0.763030 0.595872 Ti\n0.236970 0.236970 0.404128 Ti\n0.236970 0.236970 0.095872 Ti\n0.763030 0.763030 0.904128 Ti\n0.167107 0.480264 0.599629 O\n0.832893 0.519736 0.400371 O\n0.519736 0.686843 0.599629 O\n0.832893 0.519736 0.099629 O\n0.480264 0.167107 0.900371 O\n0.480264 0.313157 0.400371 O\n0.167107 0.480264 0.900371 O\n0.519736 0.832893 0.099629 O\n0.313157 0.832893 0.599629 O\n0.480264 0.313157 0.099629 O\n0.686843 0.519736 0.900371 O\n0.686843 0.167107 0.400371 O\n0.519736 0.686843 0.900371 O\n0.313157 0.480264 0.099629 O\n0.519736 0.832893 0.400371 O\n0.480264 0.167107 0.599629 O\n0.686843 0.167107 0.099629 O\n0.313157 0.480264 0.400371 O\n0.313157 0.832893 0.900371 O\n0.686843 0.519736 0.599629 O\n0.832893 0.313157 0.900371 O\n0.167107 0.686843 0.099629 O\n0.167107 0.686843 0.400371 O\n0.832893 0.313157 0.599629 O\n0.201212 0.000000 0.073931 O\n0.798788 0.000000 0.926069 O\n0.000000 0.201212 0.073931 O\n0.798788 0.000000 0.573931 O\n0.000000 0.201212 0.426069 O\n0.000000 0.798788 0.926069 O\n0.201212 0.000000 0.426069 O\n0.000000 0.798788 0.573931 O\n0.798788 0.798788 0.073931 O\n0.201212 0.201212 0.926069 O\n0.201212 0.201212 0.573931 O\n0.798788 0.798788 0.426069 O\n0.204732 0.000000 0.750000 O\n0.795268 0.000000 0.250000 O\n0.000000 0.204732 0.750000 O\n0.000000 0.795268 0.250000 O\n0.795268 0.795268 0.750000 O\n0.204732 0.204732 0.250000 O\n",
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{
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"structure_string": "Rb4 Ce12 Te32\n1.0\n13.081348 0.000000 0.000000\n0.000000 9.134384 0.000000\n0.000000 2.301128 13.987531\nRb Ce Te\n4 12 32\ndirect\n0.091640 0.243357 0.036606 Rb\n0.908360 0.756643 0.963394 Rb\n0.591640 0.256643 0.963394 Rb\n0.408360 0.743357 0.036606 Rb\n0.415527 0.403185 0.352795 Ce\n0.584473 0.596815 0.647205 Ce\n0.915527 0.096815 0.647205 Ce\n0.084473 0.903185 0.352795 Ce\n0.085302 0.420362 0.351413 Ce\n0.914698 0.579638 0.648587 Ce\n0.585302 0.079638 0.648587 Ce\n0.414698 0.920362 0.351413 Ce\n0.249223 0.084834 0.657738 Ce\n0.750777 0.915166 0.342262 Ce\n0.749223 0.415166 0.342262 Ce\n0.250777 0.584834 0.657738 Ce\n0.769673 0.207312 0.170847 Te\n0.230327 0.792688 0.829153 Te\n0.269673 0.292688 0.829153 Te\n0.730327 0.707312 0.170847 Te\n0.408168 0.206157 0.176936 Te\n0.591832 0.793843 0.823064 Te\n0.908168 0.293843 0.823064 Te\n0.091832 0.706157 0.176936 Te\n0.250714 0.455456 0.180298 Te\n0.749286 0.544544 0.819702 Te\n0.750714 0.044544 0.819702 Te\n0.249286 0.955456 0.180298 Te\n0.244590 0.144826 0.417473 Te\n0.755410 0.855174 0.582527 Te\n0.744590 0.355174 0.582527 Te\n0.255410 0.644826 0.417473 Te\n0.422505 0.351159 0.589197 Te\n0.577495 0.648841 0.410803 Te\n0.922505 0.148841 0.410803 Te\n0.077495 0.851159 0.589197 Te\n0.925350 0.963433 0.175501 Te\n0.074650 0.036567 0.824499 Te\n0.425350 0.536567 0.824499 Te\n0.574650 0.463433 0.175501 Te\n0.924699 0.449326 0.176387 Te\n0.075301 0.550674 0.823613 Te\n0.424699 0.050674 0.823613 Te\n0.575301 0.949326 0.176387 Te\n0.085264 0.354067 0.587661 Te\n0.914736 0.645933 0.412339 Te\n0.585264 0.145933 0.412339 Te\n0.414736 0.854067 0.587661 Te\n",
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{
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{
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}