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"structure_string": "Co8 Si4 O16\n1.0\n10.412880 0.000000 0.000000\n0.000000 4.818708 0.000000\n0.000000 4.777380 6.042486\nCo Si O\n8 4 16\ndirect\n0.725057 0.755039 0.750776 Co\n0.500000 0.000000 0.000000 Co\n0.774943 0.755039 0.250776 Co\n0.225057 0.244961 0.749224 Co\n0.000000 0.000000 0.500000 Co\n0.274943 0.244961 0.249224 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.405892 0.678219 0.749023 Si\n0.594108 0.321781 0.250977 Si\n0.094108 0.678219 0.249023 Si\n0.905892 0.321781 0.750977 Si\n0.908004 0.984343 0.748459 O\n0.165567 0.744537 0.032526 O\n0.948706 0.534446 0.239536 O\n0.051294 0.465554 0.760464 O\n0.834433 0.255463 0.967474 O\n0.551294 0.534446 0.739536 O\n0.837503 0.683745 0.530312 O\n0.162497 0.316255 0.469688 O\n0.408004 0.015657 0.751541 O\n0.337503 0.316255 0.969688 O\n0.662497 0.683745 0.030312 O\n0.448706 0.465554 0.260464 O\n0.334433 0.744537 0.532526 O\n0.091996 0.015657 0.251541 O\n0.591996 0.984343 0.248459 O\n0.665567 0.255463 0.467474 O\n",
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],
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"formula_reduced": "Co2SiO4",
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},
{
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"created_at": "2022-09-04T14:46:57.308501Z",
"structure_string": "Li4 Ni2 P2 C2 O14\n1.0\n6.343050 0.000000 0.000000\n0.000000 5.012876 0.000000\n0.000000 0.444820 8.421152\nLi Ni P C O\n4 2 2 2 14\ndirect\n0.003925 0.786931 0.761490 Li\n0.996075 0.213069 0.238510 Li\n0.503925 0.213069 0.238510 Li\n0.496075 0.786931 0.761490 Li\n0.750000 0.782497 0.347066 Ni\n0.250000 0.217503 0.652934 Ni\n0.250000 0.715671 0.422820 P\n0.750000 0.284329 0.577180 P\n0.750000 0.717279 0.055579 C\n0.250000 0.282721 0.944421 C\n0.750000 0.508738 0.152517 O\n0.750000 0.945278 0.125220 O\n0.250000 0.491262 0.847483 O\n0.941364 0.184908 0.676473 O\n0.558636 0.184908 0.676473 O\n0.750000 0.174301 0.409006 O\n0.250000 0.825699 0.590994 O\n0.441364 0.815092 0.323527 O\n0.058636 0.815092 0.323527 O\n0.250000 0.402473 0.442865 O\n0.750000 0.712285 0.905669 O\n0.250000 0.287715 0.094331 O\n0.750000 0.597527 0.557135 O\n0.250000 0.054722 0.874780 O\n",
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],
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"density_atomic": 0.08963025637342854,
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"formula_full": "Li4 Ni2 P2 C2 O14",
"formula_reduced": "Li2NiPCO7",
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"updated_at": "2021-11-28T01:37:48.180000Z",
"spacegroup": 11
},
{
"id": "mp-752733",
"created_at": "2022-09-04T14:46:55.951791Z",
"structure_string": "Ti2 Ga4 O10\n1.0\n2.521704 5.048228 0.000000\n-2.521704 5.048228 0.000000\n0.000000 2.484914 6.611787\nTi Ga O\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.360746 0.366760 0.725715 Ga\n0.366760 0.360746 0.225715 Ga\n0.633240 0.639254 0.774285 Ga\n0.639254 0.633240 0.274285 Ga\n0.249640 0.581440 0.949043 O\n0.581440 0.249640 0.449043 O\n0.968209 0.662035 0.649853 O\n0.337965 0.031791 0.850147 O\n0.662035 0.968209 0.149853 O\n0.031791 0.337965 0.350147 O\n0.418560 0.750360 0.550957 O\n0.803525 0.196475 0.750000 O\n0.750360 0.418560 0.050957 O\n0.196475 0.803525 0.250000 O\n",
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"chemical_system": "Ga-O-Ti",
"density": 5.2736630804248215,
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"volume": 168.33790521827922,
"volume_molar": 6.335966002925099,
"formula_full": "Ti2 Ga4 O10",
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"energy": -119.85208719,
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"updated_at": "2021-11-28T01:37:49.260000Z",
"spacegroup": 15
}
]
}