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{
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{
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{
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{
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{
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"nsites": 120,
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"elements": [
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],
"chemical_system": "Al-Fe-Mn-O-P",
"density": 3.1748838381576245,
"density_atomic": 0.0849037394343768,
"volume": 1413.365309931367,
"volume_molar": 7.092904034756431,
"formula_full": "Mn8 Al12 Fe4 P12 O84",
"formula_reduced": "Mn2Al3Fe(PO7)3",
"formula_anonymous": "AB2C3D3E21",
"energy": -869.86471164,
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"updated_at": "2021-11-28T01:36:08.847000Z",
"spacegroup": 5
},
{
"id": "mp-555710",
"created_at": "2022-09-04T14:42:43.918442Z",
"structure_string": "K10 In2 Mo8 O32\n1.0\n6.161564 7.460408 0.000000\n-6.161564 7.460408 0.000000\n0.000000 4.340200 9.811006\nK In Mo O\n10 2 8 32\ndirect\n0.075848 0.342609 0.927916 K\n0.382311 0.181689 0.062645 K\n0.617689 0.818311 0.937355 K\n0.818311 0.617689 0.437355 K\n0.924152 0.657391 0.072084 K\n0.657391 0.924152 0.572084 K\n0.342609 0.075848 0.427916 K\n0.181689 0.382311 0.562645 K\n0.390684 0.609316 0.750000 K\n0.609316 0.390684 0.250000 K\n0.115027 0.884973 0.250000 In\n0.884973 0.115027 0.750000 In\n0.044170 0.782355 0.631182 Mo\n0.262267 0.530556 0.159830 Mo\n0.955830 0.217645 0.368818 Mo\n0.217645 0.955830 0.868818 Mo\n0.737733 0.469444 0.840170 Mo\n0.530556 0.262267 0.659830 Mo\n0.469444 0.737733 0.340170 Mo\n0.782355 0.044170 0.131182 Mo\n0.478885 0.210723 0.535796 O\n0.573017 0.383028 0.921576 O\n0.789277 0.521115 0.964204 O\n0.593031 0.062079 0.217355 O\n0.700190 0.633397 0.715365 O\n0.633397 0.700190 0.215365 O\n0.937921 0.406969 0.282645 O\n0.406969 0.937921 0.782645 O\n0.616972 0.426983 0.578424 O\n0.900340 0.889582 0.731040 O\n0.383028 0.573017 0.421576 O\n0.197060 0.991397 0.030717 O\n0.008603 0.802940 0.469283 O\n0.210723 0.478885 0.035796 O\n0.426983 0.616972 0.078424 O\n0.212617 0.848373 0.596483 O\n0.889582 0.900340 0.231040 O\n0.110418 0.099660 0.768960 O\n0.663723 0.122429 0.735846 O\n0.122429 0.663723 0.235846 O\n0.062079 0.593031 0.717355 O\n0.521115 0.789277 0.464204 O\n0.877571 0.336277 0.764154 O\n0.336277 0.877571 0.264154 O\n0.802940 0.008603 0.969283 O\n0.099660 0.110418 0.268960 O\n0.991397 0.197060 0.530717 O\n0.151627 0.787383 0.903517 O\n0.299810 0.366603 0.284635 O\n0.848373 0.212617 0.096483 O\n0.787383 0.151627 0.403517 O\n0.366603 0.299810 0.784635 O\n",
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],
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"formula_full": "K10 In2 Mo8 O32",
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"updated_at": "2021-11-28T01:35:56.619000Z",
"spacegroup": 15
},
{
"id": "mp-1099117",
"created_at": "2022-09-04T14:42:43.934098Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n3.710268 -5.627658 0.000000\n3.710268 5.627658 0.000000\n0.000000 0.000000 5.336769\nCa Ce Mg\n1 1 6\ndirect\n0.656857 0.343143 0.000000 Ca\n0.150337 0.849663 0.000000 Ce\n0.654390 0.825418 0.000000 Mg\n0.174582 0.345610 0.000000 Mg\n0.835360 0.674978 0.500000 Mg\n0.325022 0.164640 0.500000 Mg\n0.855932 0.144068 0.500000 Mg\n0.347524 0.652476 0.500000 Mg\n",
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"elements": [
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"Ce",
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],
"chemical_system": "Ca-Ce-Mg",
"density": 2.429166541792975,
"density_atomic": 0.035896210951868845,
"volume": 222.86474777872064,
"volume_molar": 16.77653601956691,
"formula_full": "Ca1 Ce1 Mg6",
"formula_reduced": "CaCeMg6",
"formula_anonymous": "ABC6",
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}
]
}