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{
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"structure_string": "Os24 C76 O80\n1.0\n10.620436 0.000000 0.000000\n0.000000 16.680954 0.000000\n0.000000 0.000000 17.236616\nOs C O\n24 76 80\ndirect\n0.273914 0.390436 0.908836 Os\n0.435700 0.820822 0.831082 Os\n0.226086 0.890436 0.908836 Os\n0.935700 0.679178 0.168918 Os\n0.773914 0.109564 0.408836 Os\n0.715458 0.652031 0.250000 Os\n0.284542 0.347969 0.750000 Os\n0.564300 0.179178 0.168918 Os\n0.935700 0.679178 0.331082 Os\n0.226086 0.890436 0.591164 Os\n0.435700 0.820822 0.668918 Os\n0.273914 0.390436 0.591164 Os\n0.564300 0.179178 0.331082 Os\n0.669515 0.816048 0.750000 Os\n0.830485 0.316048 0.750000 Os\n0.064300 0.320822 0.831082 Os\n0.726086 0.609564 0.408836 Os\n0.215458 0.847969 0.750000 Os\n0.169515 0.683952 0.250000 Os\n0.726086 0.609564 0.091164 Os\n0.330485 0.183952 0.250000 Os\n0.773914 0.109564 0.091164 Os\n0.784542 0.152031 0.250000 Os\n0.064300 0.320822 0.668918 Os\n0.636438 0.700969 0.750000 C\n0.527231 0.882873 0.904694 C\n0.454971 0.728268 0.892388 C\n0.776484 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"nelements": 3,
"elements": [
"Os",
"C",
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"chemical_system": "C-O-Os",
"density": 3.675110276392419,
"density_atomic": 0.0589463974102348,
"volume": 3053.6217293704667,
"volume_molar": 10.216299934479764,
"formula_full": "Os24 C76 O80",
"formula_reduced": "Os6C19O20",
"formula_anonymous": "A6B19C20",
"energy": -1538.38852172,
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"total_magnetization": 0.001913,
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"updated_at": "2021-11-28T01:34:50.414000Z",
"spacegroup": 62
},
{
"id": "mp-1202012",
"created_at": "2022-09-04T14:41:49.327463Z",
"structure_string": "Na12 Sn6 S36 O126\n1.0\n0.000003 -0.000018 -13.320552\n-7.920020 -13.717863 -0.000017\n-7.919993 13.717847 0.000021\nNa Sn S O\n12 6 36 126\ndirect\n0.047547 0.969347 0.310549 Na\n0.047554 0.689457 0.658800 Na\n0.047548 0.341199 0.030652 Na\n0.952453 0.030653 0.689451 Na\n0.952446 0.310543 0.341200 Na\n0.952452 0.658801 0.969348 Na\n0.461670 0.026073 0.351705 Na\n0.461668 0.648299 0.674369 Na\n0.461666 0.325627 0.973926 Na\n0.538330 0.973927 0.648295 Na\n0.538332 0.351701 0.325631 Na\n0.538334 0.674373 0.026074 Na\n0.769244 0.333337 0.666668 Sn\n0.230756 0.666663 0.333332 Sn\n0.742021 1.000000 0.999999 Sn\n0.257979 0.000000 0.000001 Sn\n0.258055 0.333340 0.666671 Sn\n0.741945 0.666660 0.333329 Sn\n0.138544 0.222001 0.452013 S\n0.138544 0.547992 0.769991 S\n0.138544 0.230013 0.778000 S\n0.861456 0.777999 0.547987 S\n0.861456 0.452008 0.230009 S\n0.861456 0.769987 0.222000 S\n0.347497 0.273440 0.454078 S\n0.347497 0.545926 0.819365 S\n0.347497 0.180639 0.726561 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O\n0.130063 0.848744 0.766321 O\n0.130063 0.233678 0.082422 O\n0.130063 0.917577 0.151256 O\n0.625161 0.430281 0.478508 O\n0.625161 0.521493 0.951775 O\n0.625161 0.048228 0.569721 O\n0.374839 0.569719 0.521492 O\n0.374839 0.478507 0.048225 O\n0.374839 0.951772 0.430279 O\n0.577639 0.517240 0.652877 O\n0.577638 0.347123 0.864361 O\n0.577638 0.135640 0.482762 O\n0.422361 0.482760 0.347123 O\n0.422362 0.652877 0.135639 O\n0.422362 0.864360 0.517238 O\n0.932232 0.546050 0.614737 O\n0.932231 0.385263 0.931312 O\n0.932232 0.068690 0.453951 O\n0.067768 0.453950 0.385263 O\n0.067768 0.614737 0.068688 O\n0.067768 0.931310 0.546049 O\n",
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"elements": [
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"S",
"O"
],
"chemical_system": "Na-O-S-Sn",
"density": 2.3856765741675483,
"density_atomic": 0.06218827941332833,
"volume": 2894.436085032158,
"volume_molar": 9.683723069381658,
"formula_full": "Na12 Sn6 S36 O126",
"formula_reduced": "Na2Sn(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -1149.4796100899998,
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"updated_at": "2021-11-28T01:35:40.492000Z",
"spacegroup": 147
},
{
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"nelements": 2,
"elements": [
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],
"chemical_system": "O-Si",
"density": 1.5798092167162228,
"density_atomic": 0.04750242649226945,
"volume": 3789.2801124442185,
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"formula_full": "Si60 O120",
"formula_reduced": "SiO2",
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"updated_at": "2021-11-28T01:36:42.895000Z",
"spacegroup": 178
},
{
"id": "mp-699932",
"created_at": "2022-09-04T14:43:18.033995Z",
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"elements": [
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"Li",
"Mo",
"P",
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"O"
],
"chemical_system": "Ba-Cl-Li-Mo-O-P",
"density": 3.675849729936488,
"density_atomic": 0.0657799493649361,
"volume": 2736.3961471206107,
"volume_molar": 9.154979318378881,
"formula_full": "Ba12 Li8 Mo16 P24 Cl8 O112",
"formula_reduced": "Ba3Li2Mo4P6(ClO14)2",
"formula_anonymous": "A2B2C3D4E6F28",
"energy": -1386.49593043,
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"updated_at": "2021-11-28T01:36:13.407000Z",
"spacegroup": 19
}
]
}