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{
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{
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{
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{
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"structure_string": "H32 C12 N12 O12\n1.0\n17.755240 0.000000 0.000000\n0.000000 3.999162 0.000000\n0.000000 1.948593 9.017853\nH C N O\n32 12 12 12\ndirect\n0.688336 0.461694 0.610481 H\n0.188336 0.538306 0.889519 H\n0.311664 0.538306 0.389519 H\n0.811664 0.461694 0.110481 H\n0.764984 0.606726 0.494182 H\n0.264984 0.393274 0.005818 H\n0.235016 0.393274 0.505818 H\n0.735016 0.606726 0.994182 H\n0.551660 0.930314 0.365894 H\n0.051660 0.069686 0.134106 H\n0.448340 0.069686 0.634106 H\n0.948340 0.930314 0.865894 H\n0.569421 0.703934 0.547168 H\n0.069421 0.296066 0.952832 H\n0.430579 0.296066 0.452832 H\n0.930579 0.703934 0.047168 H\n0.655155 0.083429 0.198538 H\n0.155155 0.916571 0.301462 H\n0.344845 0.916571 0.801462 H\n0.844845 0.083429 0.698538 H\n0.745858 0.966988 0.266921 H\n0.245858 0.033012 0.233079 H\n0.254142 0.033012 0.733079 H\n0.754142 0.966988 0.766921 H\n0.648960 0.228439 0.856613 H\n0.148960 0.771561 0.643387 H\n0.351040 0.771561 0.143387 H\n0.851040 0.228439 0.356613 H\n0.610307 0.004713 0.755702 H\n0.110307 0.995287 0.744298 H\n0.389693 0.995287 0.244298 H\n0.889693 0.004713 0.255702 H\n0.490757 0.365215 0.108730 C\n0.990757 0.634785 0.391270 C\n0.509243 0.634785 0.891270 C\n0.009243 0.365215 0.608730 C\n0.556877 0.436299 0.010242 C\n0.056877 0.563701 0.489758 C\n0.443123 0.563701 0.989758 C\n0.943123 0.436299 0.510242 C\n0.661884 0.785337 0.412411 C\n0.161884 0.214663 0.087589 C\n0.338116 0.214663 0.587589 C\n0.838116 0.785337 0.912411 C\n0.709358 0.626928 0.517992 N\n0.209358 0.373072 0.982008 N\n0.290642 0.373072 0.482008 N\n0.790642 0.626928 0.017992 N\n0.587491 0.781922 0.440679 N\n0.087491 0.218078 0.059321 N\n0.412509 0.218078 0.559321 N\n0.912509 0.781922 0.940679 N\n0.688504 0.940914 0.280314 N\n0.188504 0.059086 0.219686 N\n0.311496 0.059086 0.719686 N\n0.811496 0.940914 0.780314 N\n0.478999 0.197723 0.239405 O\n0.978999 0.802277 0.260595 O\n0.521001 0.802277 0.760595 O\n0.021001 0.197723 0.739405 O\n0.625775 0.353388 0.021608 O\n0.125775 0.646612 0.478392 O\n0.374225 0.646612 0.978392 O\n0.874225 0.353388 0.521608 O\n0.656822 0.137245 0.765318 O\n0.156822 0.862755 0.734682 O\n0.343178 0.862755 0.234682 O\n0.843178 0.137245 0.265318 O\n",
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{
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"elements": [
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],
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"density": 4.378840061408649,
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"formula_full": "Nd18 Al10 S42",
"formula_reduced": "Nd9Al5S21",
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"updated_at": "2021-11-28T01:36:13.523000Z",
"spacegroup": 146
},
{
"id": "mp-1176201",
"created_at": "2022-09-04T14:43:37.265136Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.028049 0.000000 0.000000\n1.169120 7.750366 0.000000\n0.043795 0.064800 12.473186\nLi Mn Co O\n9 2 5 16\ndirect\n0.189992 0.624531 0.064788 Li\n0.936718 0.123337 0.313968 Li\n0.688763 0.624783 0.564808 Li\n0.814675 0.375214 0.936149 Li\n0.564798 0.875438 0.188608 Li\n0.314202 0.369732 0.441323 Li\n0.432616 0.130574 0.807134 Li\n0.060193 0.875658 0.683495 Li\n0.874904 0.248723 0.624262 Li\n0.993830 0.001183 0.000162 Mn\n0.629299 0.746974 0.871898 Mn\n0.749790 0.501940 0.252238 Co\n0.491746 0.011063 0.503275 Co\n0.263324 0.486405 0.744194 Co\n0.368530 0.253066 0.127311 Co\n0.124503 0.751582 0.377321 Co\n0.628918 0.813818 0.023150 O\n0.325949 0.320461 0.274588 O\n0.118315 0.820086 0.522332 O\n0.246672 0.563390 0.892259 O\n0.953799 0.067854 0.150643 O\n0.719419 0.564553 0.401032 O\n0.867140 0.326254 0.777376 O\n0.476904 0.051120 0.640638 O\n0.783926 0.437165 0.102229 O\n0.541438 0.934289 0.356507 O\n0.272256 0.446021 0.607223 O\n0.370558 0.186188 0.978035 O\n0.174285 0.684747 0.228449 O\n0.885654 0.171697 0.471144 O\n0.001008 0.935077 0.848674 O\n0.635878 0.677075 0.724784 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
},
{
"id": "mp-1213806",
"created_at": "2022-09-04T14:43:21.254369Z",
"structure_string": "Co2 I4 O20\n1.0\n0.000000 -6.322169 0.000000\n-7.570489 0.000000 1.207431\n-0.154564 0.000000 -8.142716\nCo I O\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.307703 0.659026 0.961151 I\n0.692297 0.340974 0.038849 I\n0.807703 0.340974 0.538849 I\n0.192297 0.659026 0.461151 I\n0.584371 0.921171 0.683605 O\n0.415629 0.078829 0.316395 O\n0.084371 0.078829 0.816395 O\n0.915629 0.921171 0.183605 O\n0.880668 0.350852 0.758387 O\n0.119332 0.649148 0.241613 O\n0.380668 0.649148 0.741613 O\n0.619332 0.350852 0.258387 O\n0.911687 0.787245 0.918632 O\n0.088313 0.212755 0.081368 O\n0.411687 0.212755 0.581368 O\n0.588313 0.787245 0.418632 O\n0.219161 0.906611 0.517229 O\n0.780839 0.093389 0.482771 O\n0.719161 0.093389 0.982771 O\n0.280839 0.906611 0.017229 O\n0.932301 0.666544 0.560428 O\n0.067699 0.333456 0.439572 O\n0.432301 0.333456 0.939572 O\n0.567699 0.666544 0.060428 O\n",
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"formula_full": "Co2 I4 O20",
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]
}