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"chemical_system": "C-H",
"density": 1.0208261782037378,
"density_atomic": 0.12273164533396881,
"volume": 358.5057454438117,
"volume_molar": 4.906754687116734,
"formula_full": "H28 C16",
"formula_reduced": "H7C4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.630472727272728,
"spacegroup": 14
},
{
"id": "jvasp-121345",
"created_at": "2022-09-04T14:38:53.899592Z",
"updated_at": "2022-09-04T14:38:53.899620Z",
"structure_string": "Li7 Sn4 O12\n1.0\n5.350724 0.000536 0.480929\n-2.748946 4.590593 0.480929\n0.004331 0.007643 9.999537\nLi Sn O\n7 4 12\ndirect\n0.842070 0.695966 0.252543 Li\n0.304033 0.157928 0.747458 Li\n0.146769 0.296503 0.255025 Li\n0.703495 0.853230 0.744976 Li\n0.915052 0.084948 0.000000 Li\n0.008428 0.537225 0.736121 Li\n0.462772 0.991571 0.263880 Li\n0.419329 0.580670 0.500000 Sn\n0.585490 0.414509 0.000000 Sn\n0.751611 0.248389 0.500000 Sn\n0.252304 0.747695 0.000000 Sn\n0.042144 0.247576 0.627143 O\n0.752422 0.957855 0.372857 O\n0.606463 0.118794 0.884618 O\n0.881205 0.393536 0.115383 O\n0.417744 0.872237 0.624925 O\n0.499928 0.329500 0.374679 O\n0.305429 0.465350 0.884406 O\n0.534648 0.694570 0.115595 O\n0.670499 0.500071 0.625321 O\n0.226363 0.038980 0.122260 O\n0.127762 0.582255 0.375076 O\n0.961019 0.773637 0.877741 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.837180785684962,
"density_atomic": 0.09365050036491399,
"volume": 245.59398946486476,
"volume_molar": 6.430441627684229,
"formula_full": "Li7 Sn4 O12",
"formula_reduced": "Li7(SnO3)4",
"formula_anonymous": "A4B7C12",
"energy_above_hull": 1.877910382608696,
"spacegroup": 5
}
]
}