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{
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"structure_string": "Si8 Sn8 H164 C64 O12\n1.0\n-8.563472 -9.323385 2.901643\n-8.563472 9.323385 2.901643\n0.121057 -0.000000 -18.822322\nSi Sn H C O\n8 8 164 64 12\ndirect\n0.611702 0.145386 0.808312 Si\n0.854614 0.388298 0.691688 Si\n0.388298 0.854614 0.191688 Si\n0.145386 0.611702 0.308312 Si\n0.720927 0.342760 0.088779 Si\n0.657240 0.279073 0.411221 Si\n0.279073 0.657240 0.911221 Si\n0.342760 0.720927 0.588779 Si\n0.535479 0.115908 0.974156 Sn\n0.884092 0.464521 0.525844 Sn\n0.464521 0.884092 0.025844 Sn\n0.115908 0.535479 0.474156 Sn\n0.301846 0.144013 0.999693 Sn\n0.855987 0.698154 0.500307 Sn\n0.698154 0.855987 0.000307 Sn\n0.144013 0.301846 0.499693 Sn\n0.179277 0.029615 0.043384 H\n0.970385 0.820723 0.456616 H\n0.820723 0.970385 0.956616 H\n0.029615 0.179277 0.543384 H\n0.456977 0.051699 0.827347 H\n0.948301 0.543023 0.672653 H\n0.543023 0.948301 0.172653 H\n0.051699 0.456977 0.327347 H\n0.572479 0.986632 0.853403 H\n0.013368 0.427521 0.646597 H\n0.427521 0.013368 0.146597 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},
{
"id": "mp-531981",
"created_at": "2022-09-04T14:43:58.077388Z",
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"elements": [
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"formula_full": "Rb8 W36 O108",
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{
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0.148038 O\n0.668102 0.081806 0.185366 O\n0.918137 0.330999 0.102206 O\n0.667548 0.667548 0.120028 O\n0.919273 0.919273 0.036823 O\n0.081647 0.668213 0.296498 O\n0.626904 0.626904 0.179920 O\n0.331076 0.918714 0.213238 O\n0.668484 0.081513 0.231281 O\n0.375577 0.375577 0.263697 O\n0.917331 0.332986 0.148038 O\n0.081849 0.081849 0.407575 O\n0.081442 0.668443 0.342407 O\n0.331499 0.331499 0.324273 O\n0.331856 0.918246 0.259072 O\n0.668213 0.081647 0.296498 O\n0.918714 0.331076 0.213238 O\n0.668481 0.668481 0.231281 O\n0.917335 0.917335 0.148038 O\n0.375255 0.375255 0.374914 O\n0.624688 0.624688 0.291772 O\n0.331497 0.918527 0.324273 O\n0.918246 0.331856 0.259072 O\n0.668443 0.081442 0.342407 O\n0.081853 0.668134 0.407575 O\n0.331676 0.331676 0.435357 O\n0.081677 0.081677 0.518721 O\n0.081563 0.668358 0.453526 O\n0.331867 0.918229 0.370184 O\n0.668134 0.081853 0.407575 O\n0.668444 0.668444 0.342407 O\n0.918527 0.331497 0.324273 O\n0.918249 0.918249 0.259071 O\n0.668358 0.081563 0.453526 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O\n0.915749 0.334364 0.926015 O\n0.333983 0.918648 0.990375 O\n0.918648 0.333983 0.990375 O\n0.915751 0.915751 0.926015 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-Ir-O",
"density": 10.763148356218336,
"density_atomic": 0.07701741398429877,
"volume": 2531.8949301485745,
"volume_molar": 7.819193671223119,
"formula_full": "Bi36 Ir36 O123",
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"energy": -1347.38475533,
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"updated_at": "2021-11-28T01:36:22.453000Z",
"spacegroup": 156
},
{
"id": "mp-1198552",
"created_at": "2022-09-04T14:42:01.104083Z",
"structure_string": "Ta8 H144 C48 N24 Cl8 O4\n1.0\n11.709729 0.000000 0.000000\n0.000000 13.344710 0.000000\n-6.385871 0.000000 16.140141\nTa H C N Cl O\n8 144 48 24 8 4\ndirect\n0.081439 0.296562 0.686994 Ta\n0.081439 0.203438 0.186994 Ta\n0.918561 0.703438 0.313006 Ta\n0.918561 0.796562 0.813006 Ta\n0.365013 0.241051 0.687352 Ta\n0.365013 0.258949 0.187352 Ta\n0.634987 0.758949 0.312648 Ta\n0.634987 0.741051 0.812648 Ta\n0.256321 0.038245 0.525514 H\n0.256321 0.461755 0.025514 H\n0.743679 0.961755 0.474486 H\n0.743679 0.538245 0.974486 H\n0.235044 0.044739 0.622597 H\n0.235044 0.455261 0.122597 H\n0.764956 0.955261 0.377403 H\n0.764956 0.544739 0.877403 H\n0.359570 0.974142 0.613875 H\n0.359570 0.525858 0.113875 H\n0.640430 0.025858 0.386125 H\n0.640430 0.474142 0.886125 H\n0.539605 0.063853 0.602563 H\n0.539605 0.436147 0.102563 H\n0.460395 0.936147 0.397437 H\n0.460395 0.563853 0.897437 H\n0.519391 0.194333 0.576339 H\n0.519391 0.305667 0.076339 H\n0.480609 0.805667 0.423661 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C\n0.861817 0.147911 0.652182 C\n0.861817 0.352089 0.152182 C\n0.138183 0.852089 0.347818 C\n0.138183 0.647911 0.847818 C\n0.938382 0.166032 0.542757 C\n0.938382 0.333968 0.042757 C\n0.061618 0.833968 0.457243 C\n0.061618 0.666032 0.957243 C\n0.989961 0.417842 0.629036 N\n0.989961 0.082158 0.129036 N\n0.010039 0.582158 0.370964 N\n0.010039 0.917842 0.870964 N\n0.048518 0.303365 0.793568 N\n0.048518 0.196635 0.293568 N\n0.951482 0.696635 0.206432 N\n0.951482 0.803365 0.706432 N\n0.949829 0.201225 0.625137 N\n0.949829 0.298775 0.125137 N\n0.050171 0.798775 0.374863 N\n0.050171 0.701225 0.874863 N\n0.447010 0.342547 0.642242 N\n0.447010 0.157453 0.142242 N\n0.552990 0.657453 0.357758 N\n0.552990 0.842547 0.857758 N\n0.508713 0.217642 0.794959 N\n0.508713 0.282358 0.294959 N\n0.491287 0.782358 0.205041 N\n0.491287 0.717642 0.705041 N\n0.382675 0.131325 0.614445 N\n0.382675 0.368675 0.114445 N\n0.617325 0.868675 0.385555 N\n0.617325 0.631325 0.885555 N\n0.293790 0.390338 0.776873 Cl\n0.293790 0.109662 0.276873 Cl\n0.706210 0.609662 0.223127 Cl\n0.706210 0.890338 0.723127 Cl\n0.236958 0.137531 0.762602 Cl\n0.236958 0.362469 0.262602 Cl\n0.763042 0.862469 0.237398 Cl\n0.763042 0.637531 0.737398 Cl\n0.192619 0.275570 0.627137 O\n0.192619 0.224430 0.127137 O\n0.807381 0.724430 0.372863 O\n0.807381 0.775570 0.872863 O\n",
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"elements": [
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],
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"formula_full": "Ta8 H144 C48 N24 Cl8 O4",
"formula_reduced": "Ta2H36C12N6Cl2O",
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{
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"nelements": 5,
"elements": [
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],
"chemical_system": "C-H-N-Na-Ru",
"density": 1.3774410772687964,
"density_atomic": 0.08540771437350937,
"volume": 2529.0455503278986,
"volume_molar": 7.051050135428828,
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"updated_at": "2021-11-28T01:37:50.092000Z",
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{
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{
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"nelements": 3,
"elements": [
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],
"chemical_system": "K-O-W",
"density": 6.233094931698834,
"density_atomic": 0.06533805842939776,
"volume": 2265.1423007912626,
"volume_molar": 9.216895795131922,
"formula_full": "K4 W36 O108",
"formula_reduced": "K(WO3)9",
"formula_anonymous": "AB9C27",
"energy": -1331.9366002299998,
"energy_per_atom": -8.999571623175674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1097.97260023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.474000Z",
"spacegroup": 189
}
]
}