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"id": "mp-560336",
"created_at": "2022-09-04T14:43:19.508680Z",
"structure_string": "Si32 O64\n1.0\n-4.290946 9.650825 11.734948\n4.290946 -9.650825 11.734948\n4.290946 9.650825 -11.734948\nSi O\n32 64\ndirect\n0.127631 0.342452 0.417979 Si\n0.872369 0.290348 0.214821 Si\n0.883560 0.949332 0.565771 Si\n0.253763 0.820231 0.066468 Si\n0.116440 0.682211 0.065771 Si\n0.078726 0.872615 0.580292 Si\n0.207677 0.501566 0.080292 Si\n0.078726 0.498434 0.206111 Si\n0.116440 0.050668 0.434229 Si\n0.424473 0.342452 0.714821 Si\n0.390908 0.101039 0.657480 Si\n0.127631 0.709652 0.785179 Si\n0.056442 0.898961 0.789869 Si\n0.943558 0.733428 0.842520 Si\n0.575527 0.290348 0.917979 Si\n0.207677 0.127385 0.706111 Si\n0.921274 0.501566 0.793889 Si\n0.575527 0.657548 0.285179 Si\n0.921274 0.127385 0.419708 Si\n0.792323 0.872615 0.293889 Si\n0.056442 0.266572 0.157480 Si\n0.746237 0.812705 0.566468 Si\n0.746237 0.179769 0.933532 Si\n0.792323 0.498434 0.919708 Si\n0.390908 0.733428 0.289869 Si\n0.424473 0.709652 0.082021 Si\n0.609092 0.266572 0.710131 Si\n0.883560 0.317789 0.934229 Si\n0.872369 0.657548 0.582021 Si\n0.943558 0.101039 0.210131 Si\n0.253763 0.187295 0.433532 Si\n0.609092 0.898961 0.342520 Si\n0.384234 0.927326 0.456908 O\n0.842417 0.427628 0.949729 O\n0.814951 0.858948 0.543997 O\n0.872618 0.712084 0.727896 O\n0.484188 0.712084 0.339466 O\n0.849232 0.000000 0.349232 O\n0.034790 0.246923 0.358928 O\n0.022101 0.107313 0.449729 O\n0.977899 0.892687 0.550271 O\n0.729971 0.979971 0.750000 O\n0.150768 0.000000 0.650768 O\n0.898341 0.085457 0.278799 O\n0.349082 0.765512 0.052205 O\n0.022101 0.572372 0.914788 O\n0.842417 0.892687 0.414788 O\n0.786693 0.703123 0.552205 O\n0.615766 0.072674 0.543092 O\n0.127382 0.287916 0.272104 O\n0.650918 0.703123 0.416430 O\n0.786693 0.234488 0.083570 O\n0.157583 0.107313 0.585212 O\n0.447068 0.540984 0.906084 O\n0.898341 0.619542 0.812885 O\n0.515812 0.287916 0.660534 O\n0.185049 0.141052 0.456003 O\n0.552932 0.459016 0.093916 O\n0.134900 0.540984 0.593916 O\n0.213307 0.296877 0.447795 O\n0.913297 0.315646 0.597651 O\n0.127382 0.855278 0.839466 O\n0.872618 0.144722 0.160534 O\n0.387995 0.675862 0.141072 O\n0.306658 0.619542 0.221201 O\n0.150768 0.500000 0.150768 O\n0.387995 0.246923 0.712133 O\n0.782005 0.684354 0.097651 O\n0.965210 0.753077 0.641072 O\n0.086703 0.684354 0.402349 O\n0.612005 0.753077 0.287867 O\n0.515812 0.855278 0.227896 O\n0.484188 0.144722 0.772104 O\n0.965210 0.324138 0.212133 O\n0.217995 0.315646 0.902349 O\n0.900128 0.150128 0.750000 O\n0.612005 0.324138 0.858928 O\n0.814951 0.270953 0.956003 O\n0.185049 0.729047 0.043997 O\n0.101659 0.380458 0.187115 O\n0.693342 0.380458 0.778799 O\n0.099872 0.849872 0.250000 O\n0.693342 0.914543 0.312885 O\n0.970418 0.927326 0.043092 O\n0.977899 0.427628 0.085212 O\n0.213307 0.765512 0.916430 O\n0.849232 0.500000 0.849232 O\n0.650918 0.234488 0.947795 O\n0.349082 0.296877 0.583570 O\n0.306658 0.085457 0.687115 O\n0.157583 0.572372 0.050271 O\n0.034790 0.675862 0.787867 O\n0.865100 0.459016 0.406084 O\n0.101659 0.914543 0.721201 O\n0.270029 0.020029 0.250000 O\n0.029582 0.072674 0.956908 O\n",
"nsites": 96,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6424850722461417,
"density_atomic": 0.0493869927985343,
"volume": 1943.831656072185,
"volume_molar": 12.193779006886048,
"formula_full": "Si32 O64",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -802.7022360400001,
"energy_per_atom": -8.361481625416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -758.73423604,
"band_gap": 5.5874,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.59e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.066000Z",
"spacegroup": 74
}
]
}