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{
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{
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{
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{
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"structure_string": "Cs2 K1 Sb1 Cl6\n1.0\n0.000000 5.694792 5.694792\n5.694792 0.000000 5.694792\n5.694792 5.694792 0.000000\nCs K Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sb\n0.765862 0.234138 0.234138 Cl\n0.234138 0.234138 0.765862 Cl\n0.234138 0.765862 0.765862 Cl\n0.234138 0.765862 0.234138 Cl\n0.765862 0.234138 0.765862 Cl\n0.765862 0.765862 0.234138 Cl\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": "Mg16 Si12\n1.0\n6.253449 0.000000 0.000000\n-2.614802 7.256271 0.000000\n-0.332534 -1.357257 11.975077\nMg Si\n16 12\ndirect\n0.752482 0.896823 0.896784 Mg\n0.656710 0.430596 0.909583 Mg\n0.210271 0.977966 0.432783 Mg\n0.990340 0.417782 0.136049 Mg\n0.285554 0.958181 0.850477 Mg\n0.088893 0.290190 0.892359 Mg\n0.598145 0.813646 0.394911 Mg\n0.535259 0.445884 0.463945 Mg\n0.391303 0.826448 0.630727 Mg\n0.362016 0.276027 0.671826 Mg\n0.785301 0.867271 0.157579 Mg\n0.691981 0.192841 0.299052 Mg\n0.961893 0.475179 0.670364 Mg\n0.931503 0.953601 0.645988 Mg\n0.495540 0.436512 0.167925 Mg\n0.282179 0.853161 0.200717 Mg\n0.661076 0.141339 0.539441 Si\n0.152036 0.591030 0.457755 Si\n0.169778 0.076977 0.054207 Si\n0.032104 0.717101 0.000737 Si\n0.343071 0.605421 0.805091 Si\n0.689097 0.150709 0.760180 Si\n0.877736 0.618642 0.318479 Si\n0.155513 0.183864 0.267169 Si\n0.654444 0.632572 0.690252 Si\n0.056116 0.264799 0.486088 Si\n0.383031 0.634051 0.009924 Si\n0.587579 0.128227 0.053733 Si\n",
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"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
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{
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],
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"formula_full": "Rb2 Cu1 Cl2 F2",
"formula_reduced": "Rb2Cu(ClF)2",
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"spacegroup": 139
},
{
"id": "mp-505381",
"created_at": "2022-09-04T14:44:00.760782Z",
"structure_string": "Na1 Li3 H8 N4\n1.0\n-2.558421 2.558421 5.847066\n2.558421 -2.558421 5.847066\n2.558421 2.558421 -5.847066\nNa Li H N\n1 3 8 4\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.010181 0.510181 0.500000 Li\n0.489819 0.989819 0.500000 Li\n0.521011 0.775852 0.080720 H\n0.224148 0.304868 0.745159 H\n0.559709 0.478989 0.254841 H\n0.695132 0.440291 0.919280 H\n0.410476 0.059993 0.134572 H\n0.940007 0.074579 0.350483 H\n0.724096 0.589524 0.649517 H\n0.925421 0.275904 0.865428 H\n0.337659 0.864262 0.001864 N\n0.135738 0.137602 0.473397 N\n0.664205 0.662341 0.526603 N\n0.862398 0.335795 0.998136 N\n",
"nsites": 16,
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"elements": [
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],
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"volume": 153.088303310436,
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"formula_full": "Na1 Li3 H8 N4",
"formula_reduced": "NaLi3(H2N)4",
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]
}