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{
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{
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{
"id": "mp-581738",
"created_at": "2022-09-04T14:40:57.255092Z",
"structure_string": "Cs12 Bi4 Se12\n1.0\n10.848795 0.000000 0.000000\n0.000000 10.848795 0.000000\n0.000000 0.000000 10.848795\nCs Bi Se\n12 4 12\ndirect\n0.180351 0.680351 0.819649 Cs\n0.311537 0.688463 0.188463 Cs\n0.930082 0.430082 0.069918 Cs\n0.811537 0.811537 0.811537 Cs\n0.430082 0.069918 0.930082 Cs\n0.680351 0.819649 0.180351 Cs\n0.569918 0.569918 0.569918 Cs\n0.819649 0.180351 0.680351 Cs\n0.688463 0.188463 0.311537 Cs\n0.069918 0.930082 0.430082 Cs\n0.188463 0.311537 0.688463 Cs\n0.319649 0.319649 0.319649 Cs\n0.528208 0.471792 0.971792 Bi\n0.028208 0.028208 0.028208 Bi\n0.971792 0.528208 0.471792 Bi\n0.471792 0.971792 0.528208 Bi\n0.292810 0.395426 0.995537 Se\n0.792810 0.104574 0.004463 Se\n0.707190 0.895426 0.504463 Se\n0.995537 0.292810 0.395426 Se\n0.895426 0.504463 0.707190 Se\n0.104574 0.004463 0.792810 Se\n0.207190 0.604574 0.495537 Se\n0.395426 0.995537 0.292810 Se\n0.604574 0.495537 0.207190 Se\n0.504463 0.707190 0.895426 Se\n0.004463 0.792810 0.104574 Se\n0.495537 0.207190 0.604574 Se\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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"structure_string": "H4 Pb4 C4 S4 N4 O4\n1.0\n4.292246 0.000000 0.000000\n0.000000 8.747486 0.000000\n0.000000 0.000000 11.280141\nH Pb C S N O\n4 4 4 4 4 4\ndirect\n0.750000 0.691635 0.439679 H\n0.750000 0.191635 0.060321 H\n0.250000 0.308365 0.560321 H\n0.250000 0.808365 0.939679 H\n0.750000 0.362743 0.395819 Pb\n0.750000 0.862743 0.104181 Pb\n0.250000 0.637257 0.604181 Pb\n0.250000 0.137257 0.895819 Pb\n0.750000 0.053483 0.624890 C\n0.750000 0.553483 0.875110 C\n0.250000 0.946517 0.375110 C\n0.250000 0.446517 0.124890 C\n0.750000 0.921225 0.727239 S\n0.750000 0.421225 0.772761 S\n0.250000 0.078775 0.272761 S\n0.250000 0.578775 0.227239 S\n0.750000 0.153342 0.553770 N\n0.750000 0.653342 0.946230 N\n0.250000 0.846658 0.446230 N\n0.250000 0.346658 0.053770 N\n0.750000 0.607122 0.496044 O\n0.750000 0.107122 0.003956 O\n0.250000 0.392878 0.503956 O\n0.250000 0.892878 0.996044 O\n",
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"elements": [
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],
"chemical_system": "C-H-N-O-Pb-S",
"density": 4.427125092702363,
"density_atomic": 0.0566668214287811,
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"formula_full": "H4 Pb4 C4 S4 N4 O4",
"formula_reduced": "HPbCSNO",
"formula_anonymous": "ABCDEF",
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"updated_at": "2021-11-28T01:35:01.423000Z",
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},
{
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"created_at": "2022-09-04T14:40:57.274117Z",
"structure_string": "Na16 As4 H4 O20\n1.0\n0.000000 7.527678 0.000000\n0.000000 0.000000 8.391518\n9.112726 0.000000 0.000000\nNa As H O\n16 4 4 20\ndirect\n0.013485 0.152418 0.629342 Na\n0.486515 0.347582 0.129342 Na\n0.513485 0.847582 0.370658 Na\n0.986515 0.652418 0.870658 Na\n0.986515 0.847582 0.370658 Na\n0.513485 0.652418 0.870658 Na\n0.486515 0.152418 0.629342 Na\n0.013485 0.347582 0.129342 Na\n0.250000 0.265538 0.870110 Na\n0.250000 0.234462 0.370110 Na\n0.750000 0.734462 0.129890 Na\n0.750000 0.765538 0.629890 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.250000 0.849903 0.637514 As\n0.250000 0.650097 0.137514 As\n0.750000 0.150097 0.362486 As\n0.750000 0.349903 0.862486 As\n0.250000 0.449057 0.657542 H\n0.250000 0.050943 0.157542 H\n0.750000 0.550943 0.342458 H\n0.750000 0.949057 0.842458 H\n0.062364 0.732638 0.630479 O\n0.437636 0.767362 0.130479 O\n0.562364 0.267362 0.369521 O\n0.937636 0.232638 0.869521 O\n0.937636 0.267362 0.369521 O\n0.562364 0.232638 0.869521 O\n0.437636 0.732638 0.630479 O\n0.062364 0.767362 0.130479 O\n0.250000 0.971590 0.789887 O\n0.250000 0.528410 0.289887 O\n0.750000 0.028410 0.210113 O\n0.750000 0.471590 0.710113 O\n0.250000 0.972271 0.482934 O\n0.250000 0.527729 0.982934 O\n0.750000 0.027729 0.517066 O\n0.750000 0.472271 0.017066 O\n0.250000 0.343559 0.613131 O\n0.250000 0.156441 0.113131 O\n0.750000 0.656441 0.386869 O\n0.750000 0.843559 0.886869 O\n",
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"density_atomic": 0.07643685332724322,
"volume": 575.6385576421649,
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"formula_full": "Na16 As4 H4 O20",
"formula_reduced": "Na4AsHO5",
"formula_anonymous": "ABC4D5",
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"updated_at": "2021-11-28T01:34:58.385000Z",
"spacegroup": 62
}
]
}