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{
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{
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"structure_string": "Sm1 Bi3 Ru4 O14\n1.0\n6.399319 -3.661590 0.000000\n6.399319 3.661590 0.000000\n4.304215 0.000000 5.986005\nSm Bi Ru O\n1 3 4 14\ndirect\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.921215 0.921215 0.328386 O\n0.328386 0.921215 0.921215 O\n0.921215 0.328386 0.921215 O\n0.329173 0.329173 0.923649 O\n0.923649 0.329173 0.329173 O\n0.329173 0.923649 0.329173 O\n0.078785 0.078785 0.671614 O\n0.671614 0.078785 0.078785 O\n0.078785 0.671614 0.078785 O\n0.670827 0.670827 0.076351 O\n0.076351 0.670827 0.670827 O\n0.670827 0.076351 0.670827 O\n0.623121 0.623121 0.623121 O\n0.376879 0.376879 0.376879 O\n",
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"formula_full": "Sm1 Bi3 Ru4 O14",
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{
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"structure_string": "Ca8 Al4 F28\n1.0\n7.085609 0.000000 0.000000\n0.000000 7.801130 0.000000\n0.000000 0.000000 9.666672\nCa Al F\n8 4 28\ndirect\n0.250000 0.306151 0.603530 Ca\n0.750000 0.693849 0.396470 Ca\n0.250000 0.806151 0.896470 Ca\n0.750000 0.193849 0.103530 Ca\n0.250000 0.616452 0.241268 Ca\n0.750000 0.383548 0.758732 Ca\n0.250000 0.116452 0.258732 Ca\n0.750000 0.883548 0.741268 Ca\n0.250000 0.810047 0.556867 Al\n0.750000 0.189953 0.443133 Al\n0.250000 0.310047 0.943133 Al\n0.750000 0.689953 0.056867 Al\n0.928171 0.132470 0.313998 F\n0.428171 0.867530 0.686002 F\n0.571829 0.632470 0.186002 F\n0.071829 0.367530 0.813998 F\n0.071829 0.867530 0.686002 F\n0.571829 0.132470 0.313998 F\n0.428171 0.367530 0.813998 F\n0.928171 0.632470 0.186002 F\n0.926379 0.250504 0.574661 F\n0.426379 0.749496 0.425339 F\n0.573621 0.750504 0.925339 F\n0.073621 0.249496 0.074661 F\n0.750000 0.625950 0.630402 F\n0.250000 0.374050 0.369598 F\n0.750000 0.125950 0.869598 F\n0.250000 0.874050 0.130402 F\n0.750000 0.969092 0.508880 F\n0.250000 0.030908 0.491120 F\n0.750000 0.469092 0.991120 F\n0.250000 0.530908 0.008880 F\n0.750000 0.905240 0.124421 F\n0.250000 0.094760 0.875579 F\n0.750000 0.405240 0.375579 F\n0.250000 0.594760 0.624421 F\n0.926379 0.750504 0.925339 F\n0.426379 0.249496 0.074661 F\n0.573621 0.250504 0.574661 F\n0.073621 0.749496 0.425339 F\n",
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"elements": [
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"chemical_system": "Al-Ca-F",
"density": 2.9849512794158755,
"density_atomic": 0.07485973925451918,
"volume": 534.3326118730137,
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"formula_full": "Ca8 Al4 F28",
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"updated_at": "2021-11-28T01:34:32.864000Z",
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},
{
"id": "mp-1209425",
"created_at": "2022-09-04T14:39:22.627675Z",
"structure_string": "Sm46 Cd8 Ir14\n1.0\n4.963618 -8.597239 0.000000\n4.963618 8.597239 0.000000\n0.000000 0.000000 22.314563\nSm Cd Ir\n46 8 14\ndirect\n0.206985 0.413971 0.720461 Sm\n0.206985 0.793015 0.720461 Sm\n0.793015 0.586029 0.220461 Sm\n0.586029 0.793015 0.720461 Sm\n0.793015 0.206985 0.220461 Sm\n0.413971 0.206985 0.220461 Sm\n0.792950 0.585900 0.946881 Sm\n0.792950 0.207050 0.946881 Sm\n0.207050 0.414100 0.446881 Sm\n0.414100 0.207050 0.946881 Sm\n0.207050 0.792950 0.446881 Sm\n0.585900 0.792950 0.446881 Sm\n0.208810 0.417620 0.989915 Sm\n0.208810 0.791190 0.989915 Sm\n0.791190 0.582380 0.489915 Sm\n0.582380 0.791190 0.989915 Sm\n0.791190 0.208810 0.489915 Sm\n0.417620 0.208810 0.489915 Sm\n0.872360 0.744720 0.636027 Sm\n0.872360 0.127640 0.636027 Sm\n0.127640 0.255280 0.136027 Sm\n0.255280 0.127640 0.636027 Sm\n0.127640 0.872360 0.136027 Sm\n0.744720 0.872360 0.136027 Sm\n0.459500 0.919000 0.855936 Sm\n0.459500 0.540500 0.855936 Sm\n0.540500 0.081000 0.355936 Sm\n0.081000 0.540500 0.855936 Sm\n0.540500 0.459500 0.355936 Sm\n0.919000 0.459500 0.355936 Sm\n0.000000 0.000000 0.997973 Sm\n0.000000 0.000000 0.497973 Sm\n0.460881 0.921761 0.585434 Sm\n0.460881 0.539119 0.585434 Sm\n0.539119 0.078239 0.085434 Sm\n0.078239 0.539119 0.585434 Sm\n0.539119 0.460881 0.085434 Sm\n0.921761 0.460881 0.085434 Sm\n0.797310 0.594620 0.782431 Sm\n0.797310 0.202690 0.782431 Sm\n0.202690 0.405380 0.282431 Sm\n0.405380 0.202690 0.782431 Sm\n0.202690 0.797310 0.282431 Sm\n0.594620 0.797310 0.282431 Sm\n0.666667 0.333333 0.644950 Sm\n0.333333 0.666667 0.144950 Sm\n0.000000 0.000000 0.750051 Cd\n0.000000 0.000000 0.250051 Cd\n0.107253 0.214505 0.863434 Cd\n0.107253 0.892747 0.863434 Cd\n0.892747 0.785495 0.363434 Cd\n0.785495 0.892747 0.863434 Cd\n0.892747 0.107253 0.363434 Cd\n0.214505 0.107253 0.363434 Cd\n0.520730 0.041461 0.709538 Ir\n0.520730 0.479270 0.709538 Ir\n0.479270 0.958539 0.209538 Ir\n0.958539 0.479270 0.709538 Ir\n0.479270 0.520730 0.209538 Ir\n0.041461 0.520730 0.209538 Ir\n0.666667 0.333333 0.863540 Ir\n0.333333 0.666667 0.363540 Ir\n0.143789 0.287578 0.563345 Ir\n0.143789 0.856211 0.563345 Ir\n0.856211 0.712422 0.063345 Ir\n0.712422 0.856211 0.563345 Ir\n0.856211 0.143789 0.063345 Ir\n0.287578 0.143789 0.063345 Ir\n",
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],
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"formula_full": "Sm46 Cd8 Ir14",
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}
]
}