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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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{
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{
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{
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{
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"structure_string": "Rb4 Li2 As2 O8\n1.0\n2.955483 -6.010421 0.000000\n2.955483 6.010421 0.000000\n0.000000 0.000000 8.008594\nRb Li As O\n4 2 2 8\ndirect\n0.939232 0.060768 0.849377 Rb\n0.060768 0.939232 0.349377 Rb\n0.396998 0.603002 0.496951 Rb\n0.603002 0.396998 0.996951 Rb\n0.204016 0.795984 0.769428 Li\n0.795984 0.204016 0.269428 Li\n0.310661 0.689339 0.055365 As\n0.689339 0.310661 0.555365 As\n0.118395 0.406927 0.160352 O\n0.881605 0.593073 0.660352 O\n0.365986 0.634014 0.855204 O\n0.634014 0.365986 0.355204 O\n0.593073 0.881605 0.160352 O\n0.406927 0.118395 0.660352 O\n0.832368 0.167632 0.523871 O\n0.167632 0.832368 0.023871 O\n",
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},
{
"id": "mp-1147566",
"created_at": "2022-09-04T14:43:40.557980Z",
"structure_string": "Sr2 Cu2 O2 F4\n1.0\n-2.899290 2.899290 3.926241\n2.899290 -2.899290 3.926241\n2.899290 2.899290 -3.926241\nSr Cu O F\n2 2 2 4\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n0.815978 0.315978 0.131957 F\n0.315978 0.184022 0.500000 F\n0.184022 0.684022 0.868043 F\n0.684022 0.815978 0.500000 F\n",
"nsites": 10,
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"elements": [
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"O",
"F"
],
"chemical_system": "Cu-F-O-Sr",
"density": 5.161265423486702,
"density_atomic": 0.07574949459770276,
"volume": 132.01408211512037,
"volume_molar": 7.950073847994534,
"formula_full": "Sr2 Cu2 O2 F4",
"formula_reduced": "SrCuOF2",
"formula_anonymous": "ABCD2",
"energy": -54.88135572,
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"updated_at": "2021-11-28T01:36:14.485000Z",
"spacegroup": 140
},
{
"id": "mp-1073794",
"created_at": "2022-09-04T14:43:42.931012Z",
"structure_string": "Mg6 Si6\n1.0\n3.614307 0.000000 0.000000\n0.000000 5.186891 0.000000\n0.000000 1.600705 12.271773\nMg Si\n6 6\ndirect\n0.750000 0.255344 0.054809 Mg\n0.750000 0.427094 0.387067 Mg\n0.250000 0.572906 0.612933 Mg\n0.750000 0.032922 0.720840 Mg\n0.250000 0.967078 0.279160 Mg\n0.250000 0.744656 0.945191 Mg\n0.250000 0.260153 0.874447 Si\n0.250000 0.106163 0.538084 Si\n0.250000 0.483364 0.207330 Si\n0.750000 0.739847 0.125553 Si\n0.750000 0.516636 0.792670 Si\n0.750000 0.893837 0.461916 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.268889876879429,
"density_atomic": 0.052160503191337484,
"volume": 230.059130295984,
"volume_molar": 11.545403881379968,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -42.1227676,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:15.035000Z",
"spacegroup": 11
}
]
}