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{
"id": "mp-1190081",
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{
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{
"id": "mp-559609",
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"structure_string": "Fe16 B8 O32\n1.0\n6.212508 0.000000 0.000000\n0.000000 9.557240 0.000000\n0.000000 0.000000 9.293036\nFe B O\n16 8 32\ndirect\n0.755349 0.056202 0.718340 Fe\n0.752963 0.688193 0.719290 Fe\n0.000000 0.809915 0.492282 Fe\n0.755349 0.943798 0.218340 Fe\n0.244651 0.056202 0.718340 Fe\n0.247037 0.688193 0.719290 Fe\n0.000000 0.190085 0.992282 Fe\n0.752963 0.311807 0.219290 Fe\n0.247037 0.311807 0.219290 Fe\n0.000000 0.562244 0.003075 Fe\n0.500000 0.443538 0.503578 Fe\n0.500000 0.556462 0.003578 Fe\n0.500000 0.179489 0.000083 Fe\n0.244651 0.943798 0.218340 Fe\n0.000000 0.437756 0.503075 Fe\n0.500000 0.820511 0.500083 Fe\n0.000000 0.124567 0.448826 B\n0.500000 0.873253 0.945522 B\n0.244261 0.373599 0.777536 B\n0.500000 0.126747 0.445522 B\n0.755739 0.626401 0.277536 B\n0.244261 0.626401 0.277536 B\n0.000000 0.875433 0.948826 B\n0.755739 0.373599 0.777536 B\n0.000000 0.250393 0.372299 O\n0.749940 0.377219 0.630095 O\n0.227705 0.124339 0.112570 O\n0.749940 0.622781 0.130095 O\n0.227705 0.875661 0.612570 O\n0.247079 0.500562 0.353123 O\n0.000000 0.367413 0.085647 O\n0.500000 0.630080 0.597555 O\n0.763043 0.244109 0.848295 O\n0.500000 0.116704 0.592802 O\n0.500000 0.996111 0.863253 O\n0.772295 0.124339 0.112570 O\n0.000000 0.128687 0.595101 O\n0.000000 0.632587 0.585647 O\n0.000000 0.005257 0.877567 O\n0.752921 0.499438 0.853123 O\n0.236957 0.755891 0.348295 O\n0.250060 0.377219 0.630095 O\n0.247079 0.499438 0.853123 O\n0.772295 0.875661 0.612570 O\n0.500000 0.256379 0.377073 O\n0.500000 0.003889 0.363253 O\n0.752921 0.500562 0.353123 O\n0.763043 0.755891 0.348295 O\n0.500000 0.369920 0.097555 O\n0.236957 0.244109 0.848295 O\n0.250060 0.622781 0.130095 O\n0.000000 0.994743 0.377567 O\n0.000000 0.871313 0.095101 O\n0.500000 0.743621 0.877073 O\n0.000000 0.749607 0.872299 O\n0.500000 0.883296 0.092802 O\n",
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"formula_full": "Fe16 B8 O32",
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{
"id": "mp-554401",
"created_at": "2022-09-04T14:44:52.923478Z",
"structure_string": "Ba2 Cu4 Te4 Cl4 O12\n1.0\n7.575408 0.000000 0.000000\n0.000000 7.527838 0.000000\n0.000000 1.073105 8.308092\nBa Cu Te Cl O\n2 4 4 4 12\ndirect\n0.658818 0.136158 0.932519 Ba\n0.158818 0.863842 0.067481 Ba\n0.156678 0.359502 0.914884 Cu\n0.685552 0.310911 0.403356 Cu\n0.185552 0.689089 0.596644 Cu\n0.656678 0.640498 0.085116 Cu\n0.028824 0.131330 0.607362 Te\n0.810372 0.657915 0.766062 Te\n0.310372 0.342085 0.233938 Te\n0.528824 0.868670 0.392638 Te\n0.385758 0.453600 0.616719 Cl\n0.919452 0.114563 0.237365 Cl\n0.419452 0.885437 0.762635 Cl\n0.885758 0.546400 0.383281 Cl\n0.223962 0.522175 0.067615 O\n0.783807 0.186040 0.602982 O\n0.001742 0.874946 0.632277 O\n0.045169 0.550858 0.766863 O\n0.723962 0.477825 0.932385 O\n0.501742 0.125054 0.367723 O\n0.545169 0.449142 0.233137 O\n0.821887 0.800576 0.942277 O\n0.321887 0.199424 0.057723 O\n0.546779 0.846040 0.168083 O\n0.046779 0.153960 0.831917 O\n0.283807 0.813960 0.397018 O\n",
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"density_atomic": 0.05487768193130246,
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"formula_full": "Ba2 Cu4 Te4 Cl4 O12",
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{
"id": "mp-541997",
"created_at": "2022-09-04T14:44:52.972393Z",
"structure_string": "K12 Fe4 Se12\n1.0\n13.030773 0.000000 0.000000\n0.000000 8.128930 0.000000\n0.000000 6.415054 8.348013\nK Fe Se\n12 4 12\ndirect\n0.189598 0.128768 0.582062 K\n0.079916 0.653813 0.602552 K\n0.628672 0.383956 0.477046 K\n0.371328 0.616044 0.522954 K\n0.871328 0.383956 0.977046 K\n0.579916 0.346187 0.897448 K\n0.128672 0.616044 0.022954 K\n0.920084 0.346187 0.397448 K\n0.310402 0.128768 0.082062 K\n0.420084 0.653813 0.102552 K\n0.810402 0.871232 0.417938 K\n0.689598 0.871232 0.917938 K\n0.443114 0.939531 0.651861 Fe\n0.943114 0.060469 0.848139 Fe\n0.556886 0.060469 0.348139 Fe\n0.056886 0.939531 0.151861 Fe\n0.612043 0.844432 0.625007 Se\n0.451362 0.126232 0.759590 Se\n0.827499 0.349945 0.691712 Se\n0.387957 0.155568 0.374993 Se\n0.112043 0.155568 0.874993 Se\n0.172501 0.650055 0.308288 Se\n0.548638 0.873768 0.240410 Se\n0.327499 0.650055 0.808288 Se\n0.887957 0.844432 0.125007 Se\n0.951362 0.873768 0.740410 Se\n0.048638 0.126232 0.259590 Se\n0.672501 0.349945 0.191712 Se\n",
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{
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"structure_string": "Sr1 Hf1 N2\n1.0\n6.000782 -1.678363 0.000000\n6.000782 1.678363 0.000000\n5.531359 0.000000 2.868859\nSr Hf N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Hf\n0.767368 0.767368 0.767368 N\n0.232632 0.232632 0.232632 N\n",
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{
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"structure_string": "Cs2 Dy4 Ag6 Te10\n1.0\n2.291567 -8.255638 0.000000\n2.291567 8.255638 0.000000\n0.000000 0.000000 18.679087\nCs Dy Ag Te\n2 4 6 10\ndirect\n0.557655 0.442345 0.250000 Cs\n0.442345 0.557655 0.750000 Cs\n0.692217 0.307783 0.905797 Dy\n0.307783 0.692217 0.094203 Dy\n0.692217 0.307783 0.594203 Dy\n0.307783 0.692217 0.405797 Dy\n0.841363 0.158637 0.250000 Ag\n0.158637 0.841363 0.750000 Ag\n0.082678 0.917322 0.464750 Ag\n0.917322 0.082678 0.535250 Ag\n0.082678 0.917322 0.035250 Ag\n0.917322 0.082678 0.964750 Ag\n0.065370 0.934630 0.882041 Te\n0.934630 0.065370 0.117959 Te\n0.065370 0.934630 0.617959 Te\n0.934630 0.065370 0.382041 Te\n0.677519 0.322481 0.428817 Te\n0.322481 0.677519 0.571183 Te\n0.677519 0.322481 0.071183 Te\n0.322481 0.677519 0.928817 Te\n0.245587 0.754413 0.250000 Te\n0.754413 0.245587 0.750000 Te\n",
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{
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"structure_string": "C4 N24 O4\n1.0\n5.715169 0.000000 0.000000\n0.000000 6.585774 0.000000\n0.000000 0.000000 14.304940\nC N O\n4 24 4\ndirect\n0.768413 0.750000 0.495828 C\n0.268413 0.750000 0.004172 C\n0.231587 0.250000 0.504172 C\n0.731587 0.250000 0.995828 C\n0.777848 0.750000 0.594605 N\n0.277848 0.750000 0.905395 N\n0.222152 0.250000 0.405395 N\n0.722152 0.250000 0.094605 N\n0.979836 0.750000 0.627183 N\n0.479836 0.750000 0.872817 N\n0.020164 0.250000 0.372817 N\n0.520164 0.250000 0.127183 N\n0.153743 0.750000 0.666285 N\n0.653743 0.750000 0.833715 N\n0.846257 0.250000 0.333715 N\n0.346257 0.250000 0.166285 N\n0.530323 0.750000 0.469779 N\n0.030323 0.750000 0.030221 N\n0.469677 0.250000 0.530221 N\n0.969677 0.250000 0.969779 N\n0.495595 0.750000 0.383771 N\n0.995595 0.750000 0.116229 N\n0.504405 0.250000 0.616229 N\n0.004405 0.250000 0.883771 N\n0.438631 0.750000 0.307378 N\n0.938631 0.750000 0.192622 N\n0.561369 0.250000 0.692622 N\n0.061369 0.250000 0.807378 N\n0.936490 0.750000 0.442922 O\n0.436490 0.750000 0.057078 O\n0.063510 0.250000 0.557078 O\n0.563510 0.250000 0.942922 O\n",
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{
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{
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{
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{
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"structure_string": "Li8 Ga6 Si6 Br2 O24\n1.0\n8.653326 0.000000 0.000000\n0.000000 8.653326 0.000000\n0.000000 0.000000 8.653326\nLi Ga Si Br O\n8 6 6 2 24\ndirect\n0.320778 0.320778 0.679222 Li\n0.179222 0.820778 0.820778 Li\n0.320778 0.679222 0.320778 Li\n0.820778 0.179222 0.820778 Li\n0.179222 0.179222 0.179222 Li\n0.679222 0.679222 0.679222 Li\n0.679222 0.320778 0.320778 Li\n0.820778 0.820778 0.179222 Li\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.250000 0.500000 Ga\n0.750000 0.500000 0.000000 Ga\n0.000000 0.500000 0.250000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.903846 0.628161 0.647220 O\n0.403846 0.852780 0.871839 O\n0.096154 0.371839 0.647220 O\n0.852780 0.871839 0.403846 O\n0.403846 0.147220 0.128161 O\n0.647220 0.096154 0.371839 O\n0.371839 0.352780 0.903846 O\n0.352780 0.903846 0.371839 O\n0.596154 0.852780 0.128161 O\n0.147220 0.128161 0.403846 O\n0.596154 0.147220 0.871839 O\n0.871839 0.596154 0.147220 O\n0.147220 0.871839 0.596154 O\n0.371839 0.647220 0.096154 O\n0.128161 0.596154 0.852780 O\n0.628161 0.647220 0.903846 O\n0.128161 0.403846 0.147220 O\n0.352780 0.096154 0.628161 O\n0.096154 0.628161 0.352780 O\n0.871839 0.403846 0.852780 O\n0.628161 0.352780 0.096154 O\n0.647220 0.903846 0.628161 O\n0.903846 0.371839 0.352780 O\n0.852780 0.128161 0.596154 O\n",
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