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"elements": [
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"density": 7.342531726818159,
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"updated_at": "2021-11-28T01:37:10.467000Z",
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{
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"structure_string": "Ru24 C68 S8 O68\n1.0\n11.456508 0.000000 0.000000\n0.000000 15.067184 0.000000\n0.000000 0.000000 17.823074\nRu C S O\n24 68 8 68\ndirect\n0.955784 0.063264 0.184777 Ru\n0.626390 0.804187 0.105736 Ru\n0.544216 0.936736 0.684777 Ru\n0.373610 0.304187 0.394264 Ru\n0.255492 0.400329 0.897289 Ru\n0.744508 0.900329 0.602711 Ru\n0.959267 0.005399 0.576929 Ru\n0.459267 0.494601 0.423071 Ru\n0.040733 0.505399 0.923071 Ru\n0.722514 0.072054 0.694316 Ru\n0.244508 0.599671 0.397289 Ru\n0.455784 0.436736 0.815223 Ru\n0.755492 0.099671 0.102711 Ru\n0.222514 0.427946 0.305684 Ru\n0.044216 0.563264 0.315223 Ru\n0.022997 0.594894 0.770453 Ru\n0.873610 0.195813 0.605736 Ru\n0.126390 0.695813 0.894264 Ru\n0.540733 0.994601 0.076929 Ru\n0.777486 0.927946 0.194316 Ru\n0.277486 0.572054 0.805684 Ru\n0.522997 0.905106 0.229547 Ru\n0.477003 0.405106 0.270453 Ru\n0.977003 0.094894 0.729547 Ru\n0.296627 0.221078 0.332978 C\n0.939800 0.894269 0.524034 C\n0.447484 0.299884 0.215276 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{
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"updated_at": "2021-11-28T01:34:58.045000Z",
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},
{
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"created_at": "2022-09-04T14:40:32.411837Z",
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"updated_at": "2021-11-28T01:34:52.023000Z",
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{
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C\n0.695499 0.286215 0.330339 C\n0.576051 0.465189 0.378597 C\n0.856812 0.753742 0.153598 C\n0.126280 0.429028 0.872912 O\n0.213227 0.330981 0.670961 O\n0.484859 0.493619 0.593790 O\n0.910580 0.121948 0.517739 O\n0.711132 0.236819 0.891190 O\n0.567692 0.938049 0.312594 O\n0.754467 0.603227 0.958295 O\n0.637200 0.505727 0.419483 O\n0.637200 0.994273 0.919483 O\n0.794348 0.424574 0.767957 O\n0.254467 0.396773 0.041705 O\n0.984859 0.993619 0.906210 O\n0.294348 0.924574 0.732043 O\n0.067692 0.438049 0.187406 O\n0.067692 0.061951 0.687406 O\n0.415333 0.290130 0.885739 O\n0.910580 0.378052 0.017739 O\n0.376284 0.882132 0.969628 O\n0.425745 0.738792 0.335130 O\n0.713227 0.669019 0.329039 O\n0.213227 0.169019 0.170961 O\n0.810851 0.007537 0.759913 O\n0.567692 0.561951 0.812594 O\n0.876284 0.117868 0.030372 O\n0.425745 0.761208 0.835130 O\n0.126280 0.070972 0.372912 O\n0.515550 0.345061 0.705179 O\n0.410580 0.878052 0.482261 O\n0.274594 0.167912 0.003693 O\n0.254467 0.103227 0.541705 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"elements": [
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"density": 3.711287933204147,
"density_atomic": 0.05670953039676534,
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"formula_full": "Os16 Pt8 C72 O72",
"formula_reduced": "Os2Pt(CO)9",
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"energy": -1402.99504635,
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"total_magnetization": 0.0018382,
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"updated_at": "2021-11-28T01:36:04.175000Z",
"spacegroup": 33
},
{
"id": "mp-1246405",
"created_at": "2022-09-04T14:43:51.564990Z",
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N\n0.659288 0.705167 0.819926 N\n0.045873 0.340697 0.819924 N\n0.294818 0.954133 0.819927 N\n0.238016 0.468913 0.688207 N\n0.230895 0.761987 0.688201 N\n0.531083 0.769103 0.688218 N\n0.761984 0.531087 0.188207 N\n0.769105 0.238013 0.188201 N\n0.468917 0.230897 0.188218 N\n",
"nsites": 168,
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"elements": [
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],
"chemical_system": "N-Sb-Sr",
"density": 5.109626563306252,
"density_atomic": 0.05563396263349373,
"volume": 3019.738160784141,
"volume_molar": 10.824576346777151,
"formula_full": "Sr24 Sb48 N96",
"formula_reduced": "Sr(SbN2)2",
"formula_anonymous": "AB2C4",
"energy": -1049.44424559,
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"energy_uncorrected": -1014.78824559,
"band_gap": 1.1401999999999997,
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"total_magnetization": 0.0369577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.535000Z",
"spacegroup": 173
}
]
}