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{
"id": "mp-12494",
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"structure_string": "Cs2 Pr2 Cd2 Te6\n1.0\n2.330883 -8.700240 0.000000\n2.330883 8.700240 0.000000\n0.000000 0.000000 12.200911\nCs Pr Cd Te\n2 2 2 6\ndirect\n0.750162 0.249838 0.750000 Cs\n0.249838 0.750162 0.250000 Cs\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.534975 0.465025 0.250000 Cd\n0.465025 0.534975 0.750000 Cd\n0.377249 0.622751 0.554385 Te\n0.622751 0.377249 0.445615 Te\n0.622751 0.377249 0.054385 Te\n0.377249 0.622751 0.945615 Te\n0.933603 0.066397 0.250000 Te\n0.066397 0.933603 0.750000 Te\n",
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{
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"structure_string": "Mg4 I8 O24\n1.0\n5.390324 0.000000 0.000000\n0.000000 5.704460 0.000000\n0.000000 0.000000 17.263790\nMg I O\n4 8 24\ndirect\n0.713060 0.168046 0.094675 Mg\n0.213060 0.331954 0.905325 Mg\n0.286940 0.668046 0.405325 Mg\n0.786940 0.831954 0.594675 Mg\n0.968309 0.136911 0.424723 I\n0.253400 0.220758 0.206502 I\n0.753400 0.279242 0.793498 I\n0.468309 0.363089 0.575277 I\n0.031691 0.636911 0.075277 I\n0.746600 0.720758 0.293498 I\n0.246600 0.779242 0.706502 I\n0.531691 0.863089 0.924723 I\n0.110075 0.995749 0.336528 O\n0.030500 0.023339 0.157495 O\n0.525460 0.026234 0.201442 O\n0.433720 0.117423 0.983582 O\n0.880449 0.121122 0.879157 O\n0.735476 0.170185 0.546850 O\n0.235476 0.329815 0.453150 O\n0.380449 0.378878 0.120843 O\n0.933720 0.382577 0.016418 O\n0.025460 0.473766 0.798558 O\n0.530500 0.476661 0.842505 O\n0.610075 0.504251 0.663472 O\n0.889925 0.495749 0.163472 O\n0.969500 0.523339 0.342505 O\n0.474540 0.526234 0.298558 O\n0.566280 0.617423 0.516418 O\n0.119551 0.621122 0.620843 O\n0.264524 0.670185 0.953150 O\n0.764524 0.829815 0.046850 O\n0.619551 0.878878 0.379157 O\n0.066280 0.882577 0.483582 O\n0.974540 0.973766 0.701442 O\n0.469500 0.976661 0.657495 O\n0.389925 0.004251 0.836528 O\n",
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},
{
"id": "mp-1178419",
"created_at": "2022-09-04T14:45:21.560861Z",
"structure_string": "Cr1 Sb2 O6\n1.0\n4.629587 2.614345 0.000000\n-4.629587 2.614345 0.000000\n0.000000 0.281210 4.694503\nCr Sb O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666988 0.333012 0.500000 Sb\n0.333012 0.666988 0.500000 Sb\n0.010594 0.367503 0.267852 O\n0.989406 0.632497 0.732148 O\n0.655249 0.655249 0.265814 O\n0.344751 0.344751 0.734186 O\n0.632497 0.989406 0.732148 O\n0.367503 0.010594 0.267852 O\n",
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"formula_full": "Cr1 Sb2 O6",
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},
{
"id": "mp-744274",
"created_at": "2022-09-04T14:45:21.574649Z",
"structure_string": "Fe1 Si4 O6\n1.0\n2.855317 0.000000 0.000000\n-1.143556 6.360975 0.000000\n-0.941850 -0.301380 10.433843\nFe Si O\n1 4 6\ndirect\n0.918049 0.857300 0.154523 Fe\n0.376540 0.122467 0.745546 Si\n0.734139 0.797423 0.734322 Si\n0.481592 0.230145 0.965643 Si\n0.495916 0.470216 0.525025 Si\n0.439544 0.026697 0.059717 O\n0.044056 0.363164 0.993491 O\n0.397504 0.736192 0.234486 O\n0.468234 0.328383 0.654835 O\n0.627922 0.714773 0.579525 O\n0.950503 0.419240 0.449887 O\n",
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{
"id": "mp-1218431",
"created_at": "2022-09-04T14:45:21.588359Z",
"structure_string": "Sr5 Bi3 O12\n1.0\n-4.366084 -4.366084 0.000000\n0.000000 0.000000 -8.750509\n4.366084 -4.366084 0.000000\nSr Bi O\n5 3 12\ndirect\n0.500000 0.262812 0.000000 Sr\n0.000000 0.737188 0.500000 Sr\n0.500000 0.737188 0.000000 Sr\n0.000000 0.262812 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.235639 0.000000 O\n0.500000 0.749471 0.500000 O\n0.263475 0.500000 0.263475 O\n0.750727 0.000000 0.750727 O\n0.263475 0.500000 0.736525 O\n0.750727 0.000000 0.249273 O\n0.000000 0.764361 0.000000 O\n0.500000 0.250529 0.500000 O\n0.736525 0.500000 0.736525 O\n0.249273 0.000000 0.249273 O\n0.736525 0.500000 0.263475 O\n0.249273 0.000000 0.750727 O\n",
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"elements": [
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"density": 6.256747613951531,
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"volume": 333.6164719813859,
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"formula_full": "Sr5 Bi3 O12",
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},
{
"id": "mp-1245002",
"created_at": "2022-09-04T14:45:26.103785Z",
"structure_string": "Ga50 N50\n1.0\n11.744948 0.500250 0.041079\n0.504740 11.211330 0.377394\n0.047449 0.365649 11.640862\nGa N\n50 50\ndirect\n0.344689 0.530019 0.227738 Ga\n0.252617 0.552171 0.556504 Ga\n0.854847 0.893882 0.051617 Ga\n0.139675 0.491585 0.764493 Ga\n0.312122 0.258335 0.312689 Ga\n0.469559 0.122938 0.751210 Ga\n0.623855 0.891730 0.754025 Ga\n0.887047 0.293795 0.468657 Ga\n0.391965 0.270613 0.523222 Ga\n0.702553 0.004380 0.181316 Ga\n0.179564 0.707435 0.305783 Ga\n0.172922 0.966843 0.340357 Ga\n0.510821 0.357592 0.174998 Ga\n0.622533 0.426344 0.378419 Ga\n0.044038 0.382607 0.610197 Ga\n0.687299 0.089233 0.905550 Ga\n0.175005 0.166036 0.494848 Ga\n0.226867 0.384016 0.039536 Ga\n0.943298 0.661785 0.670470 Ga\n0.264656 0.619655 0.963474 Ga\n0.732916 0.211718 0.352560 Ga\n0.404711 0.445194 0.767944 Ga\n0.042525 0.581000 0.229824 Ga\n0.949337 0.137223 0.893896 Ga\n0.509593 0.533886 0.529111 Ga\n0.054597 0.653473 0.948413 Ga\n0.794288 0.596511 0.089224 Ga\n0.370266 0.786918 0.135907 Ga\n0.610459 0.825135 0.980585 Ga\n0.944778 0.125384 0.168291 Ga\n0.845340 0.349180 0.932877 Ga\n0.917586 0.144573 0.670901 Ga\n0.020868 0.738720 0.476581 Ga\n0.558981 0.674526 0.669408 Ga\n0.907938 0.899359 0.352531 Ga\n0.030875 0.321739 0.134534 Ga\n0.781754 0.438019 0.661814 Ga\n0.723358 0.740832 0.503711 Ga\n0.691477 0.618323 0.833740 Ga\n0.737453 0.714474 0.278544 Ga\n0.908524 0.545362 0.462070 Ga\n0.829382 0.436548 0.271469 Ga\n0.070390 0.895702 0.126979 Ga\n0.493518 0.968314 0.526891 Ga\n0.605414 0.361475 0.842345 Ga\n0.334956 0.822256 0.471848 Ga\n0.417544 0.893341 0.854865 Ga\n0.519091 0.674853 0.275343 Ga\n0.668880 0.153506 0.607224 Ga\n0.696546 0.286717 0.105206 Ga\n0.362340 0.710919 0.835990 N\n0.132191 0.918334 0.829821 N\n0.546696 0.982104 0.264492 N\n0.905625 0.010792 0.564788 N\n0.605163 0.837649 0.599289 N\n0.804928 0.599010 0.600234 N\n0.024724 0.223165 0.559361 N\n0.219567 0.846082 0.199027 N\n0.155172 0.427250 0.466958 N\n0.493192 0.108301 0.993341 N\n0.770342 0.150554 0.201017 N\n0.745563 0.451811 0.821995 N\n0.309666 0.605569 0.383558 N\n0.993640 0.427691 0.250881 N\n0.170346 0.188133 0.798579 N\n0.732664 0.072005 0.471878 N\n0.020498 0.988361 0.264829 N\n0.295368 0.950589 0.637098 N\n0.515080 0.500696 0.257116 N\n0.715744 0.688938 0.970431 N\n0.957789 0.648868 0.095233 N\n0.977698 0.772743 0.051304 N\n0.129107 0.837657 0.778931 N\n0.451203 0.858633 0.014570 N\n0.529080 0.480207 0.988499 N\n0.270587 0.460061 0.877614 N\n0.007343 0.589728 0.811405 N\n0.699888 0.959619 0.019937 N\n0.492849 0.575100 0.004427 N\n0.201509 0.123360 0.071235 N\n0.220709 0.022959 0.621664 N\n0.388890 0.430616 0.598003 N\n0.179946 0.399326 0.374060 N\n0.407374 0.661385 0.418116 N\n0.501621 0.135464 0.575375 N\n0.802440 0.867758 0.229195 N\n0.457692 0.148736 0.073134 N\n0.259330 0.088736 0.144521 N\n0.837544 0.835774 0.763636 N\n0.800342 0.417265 0.091269 N\n0.783597 0.275107 0.616760 N\n0.413711 0.646491 0.768309 N\n0.492600 0.036144 0.329173 N\n0.249324 0.186025 0.852373 N\n0.838056 0.012621 0.482065 N\n0.961325 0.025539 0.030790 N\n0.648561 0.062169 0.755478 N\n0.887142 0.890063 0.821406 N\n0.342248 0.365656 0.169959 N\n0.697250 0.245677 0.944577 N\n",
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{
"id": "mp-780142",
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"structure_string": "Li20 Ni16 O32\n1.0\n8.382228 0.000000 0.000000\n0.000000 8.382228 0.000000\n0.000000 0.000000 8.382228\nLi Ni O\n20 16 32\ndirect\n0.053187 0.053187 0.053187 Li\n0.139363 0.375000 0.389363 Li\n0.125000 0.610637 0.639363 Li\n0.110637 0.860637 0.875000 Li\n0.196813 0.196813 0.196813 Li\n0.303187 0.803187 0.696813 Li\n0.389363 0.139363 0.375000 Li\n0.375000 0.389363 0.139363 Li\n0.360637 0.625000 0.889363 Li\n0.446813 0.946813 0.553187 Li\n0.553187 0.446813 0.946813 Li\n0.639363 0.125000 0.610637 Li\n0.625000 0.889363 0.360637 Li\n0.610637 0.639363 0.125000 Li\n0.696813 0.303187 0.803187 Li\n0.803187 0.696813 0.303187 Li\n0.889363 0.360637 0.625000 Li\n0.875000 0.110637 0.860637 Li\n0.860637 0.875000 0.110637 Li\n0.946813 0.553187 0.446813 Li\n0.125000 0.875000 0.375000 Ni\n0.375000 0.125000 0.875000 Ni\n0.625000 0.625000 0.625000 Ni\n0.875000 0.375000 0.125000 Ni\n0.124058 0.125942 0.625000 Ni\n0.125000 0.375942 0.874058 Ni\n0.125942 0.625000 0.124058 Ni\n0.374058 0.375000 0.624058 Ni\n0.375000 0.624058 0.374058 Ni\n0.375942 0.874058 0.125000 Ni\n0.624058 0.374058 0.375000 Ni\n0.625000 0.124058 0.125942 Ni\n0.625942 0.875000 0.875942 Ni\n0.874058 0.125000 0.375942 Ni\n0.875000 0.875942 0.625942 Ni\n0.875942 0.625942 0.875000 Ni\n0.118225 0.115209 0.386828 O\n0.113172 0.881775 0.615209 O\n0.122026 0.622026 0.877974 O\n0.134791 0.131775 0.863172 O\n0.115209 0.386828 0.118225 O\n0.127974 0.372026 0.627974 O\n0.136828 0.634791 0.368225 O\n0.131775 0.863172 0.134791 O\n0.368225 0.136828 0.634791 O\n0.363172 0.365209 0.868225 O\n0.372026 0.627974 0.127974 O\n0.384791 0.613172 0.618225 O\n0.365209 0.868225 0.363172 O\n0.377974 0.377974 0.377974 O\n0.386828 0.118225 0.115209 O\n0.381775 0.884791 0.886828 O\n0.618225 0.384791 0.613172 O\n0.613172 0.618225 0.384791 O\n0.622026 0.877974 0.122026 O\n0.634791 0.368225 0.136828 O\n0.615209 0.113172 0.881775 O\n0.627974 0.127974 0.372026 O\n0.636828 0.865209 0.631775 O\n0.631775 0.636828 0.865209 O\n0.868225 0.363172 0.365209 O\n0.863172 0.134791 0.131775 O\n0.872026 0.872026 0.872026 O\n0.884791 0.886828 0.381775 O\n0.865209 0.631775 0.636828 O\n0.877974 0.122026 0.622026 O\n0.886828 0.381775 0.884791 O\n0.881775 0.615209 0.113172 O\n",
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{
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}