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{
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{
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{
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{
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{
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"id": "mp-4877",
"created_at": "2022-09-04T14:44:01.215566Z",
"structure_string": "Cs2 Na4 Si34\n1.0\n0.000000 7.419459 7.419459\n7.419459 0.000000 7.419459\n7.419459 7.419459 0.000000\nCs Na Si\n2 4 34\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Cs\n0.625000 0.625000 0.625000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.125000 Na\n0.625000 0.125000 0.625000 Na\n0.995024 0.995024 0.619476 Si\n0.995024 0.390476 0.995024 Si\n0.390476 0.995024 0.619476 Si\n0.390476 0.995024 0.995024 Si\n0.619476 0.995024 0.995024 Si\n0.859524 0.630524 0.254976 Si\n0.254976 0.630524 0.254976 Si\n0.630524 0.254976 0.859524 Si\n0.254976 0.254976 0.859524 Si\n0.630524 0.859524 0.254976 Si\n0.859524 0.254976 0.630524 Si\n0.254976 0.254976 0.630524 Si\n0.254976 0.859524 0.254976 Si\n0.619476 0.995024 0.390476 Si\n0.619476 0.390476 0.995024 Si\n0.995024 0.390476 0.619476 Si\n0.995024 0.619476 0.390476 Si\n0.390476 0.619476 0.995024 Si\n0.995024 0.619476 0.995024 Si\n0.859524 0.254976 0.254976 Si\n0.630524 0.254976 0.254976 Si\n0.254976 0.859524 0.630524 Si\n0.407790 0.776630 0.407790 Si\n0.842210 0.842210 0.473370 Si\n0.473370 0.842210 0.842210 Si\n0.842210 0.842210 0.842210 Si\n0.776630 0.407790 0.407790 Si\n0.407790 0.407790 0.407790 Si\n0.407790 0.407790 0.776630 Si\n0.842210 0.473370 0.842210 Si\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Si\n0.995024 0.995024 0.390476 Si\n0.254976 0.630524 0.859524 Si\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Si"
],
"chemical_system": "Cs-Na-Si",
"density": 2.6684572744208883,
"density_atomic": 0.048968102763253335,
"volume": 816.8582759554413,
"volume_molar": 12.298088796936478,
"formula_full": "Cs2 Na4 Si34",
"formula_reduced": "CsNa2Si17",
"formula_anonymous": "AB2C17",
"energy": -190.83970204,
"energy_per_atom": -4.770992551,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.25370204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0259992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.571000Z",
"spacegroup": 227
}
]
}