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{
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"structure_string": "Mg12 Si12 Sn8 O48\n1.0\n-6.116602 6.116602 6.116602\n6.116602 -6.116602 6.116602\n6.116602 6.116602 -6.116602\nMg Si Sn O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.596948 0.894864 0.369862 O\n0.369862 0.596948 0.894864 O\n0.272914 0.297916 0.903052 O\n0.474999 0.605136 0.202084 O\n0.297916 0.894864 0.025001 O\n0.130138 0.025001 0.227086 O\n0.369862 0.272914 0.474999 O\n0.894864 0.369862 0.596948 O\n0.202084 0.227086 0.596948 O\n0.474999 0.369862 0.272914 O\n0.894864 0.025001 0.297916 O\n0.605136 0.903052 0.130138 O\n0.903052 0.130138 0.605136 O\n0.272914 0.474999 0.369862 O\n0.596948 0.202084 0.227086 O\n0.227086 0.596948 0.202084 O\n0.025001 0.297916 0.894864 O\n0.903052 0.272914 0.297916 O\n0.025001 0.227086 0.130138 O\n0.797916 0.772914 0.403052 O\n0.202084 0.474999 0.605136 O\n0.605136 0.202084 0.474999 O\n0.227086 0.130138 0.025001 O\n0.130138 0.605136 0.903052 O\n0.403052 0.105136 0.630138 O\n0.630138 0.403052 0.105136 O\n0.727086 0.702084 0.096948 O\n0.525001 0.394864 0.797916 O\n0.702084 0.105136 0.974999 O\n0.869862 0.974999 0.772914 O\n0.630138 0.727086 0.525001 O\n0.105136 0.630138 0.403052 O\n0.869862 0.394864 0.096948 O\n0.772914 0.869862 0.974999 O\n0.394864 0.797916 0.525001 O\n0.702084 0.096948 0.727086 O\n0.797916 0.525001 0.394864 O\n0.974999 0.772914 0.869862 O\n0.096948 0.727086 0.702084 O\n0.974999 0.702084 0.105136 O\n0.772914 0.403052 0.797916 O\n0.403052 0.797916 0.772914 O\n0.727086 0.525001 0.630138 O\n0.096948 0.869862 0.394864 O\n0.394864 0.096948 0.869862 O\n0.105136 0.974999 0.702084 O\n0.525001 0.630138 0.727086 O\n0.297916 0.903052 0.272914 O\n",
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{
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{
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"id": "mp-1246991",
"created_at": "2022-09-04T14:39:34.979193Z",
"structure_string": "Sr8 Mg4 Si8 O28\n1.0\n7.970080 0.000000 0.000000\n0.000000 8.655747 -3.899501\n0.000000 0.043445 9.626967\nSr Mg Si O\n8 4 8 28\ndirect\n0.449183 0.724158 0.799279 Sr\n0.267324 0.451862 0.023515 Sr\n0.232676 0.951862 0.523515 Sr\n0.949183 0.775842 0.700721 Sr\n0.550817 0.275842 0.200721 Sr\n0.050817 0.224158 0.299279 Sr\n0.767324 0.048138 0.476485 Sr\n0.732676 0.548138 0.976485 Sr\n0.108657 0.834299 0.115842 Mg\n0.391343 0.334299 0.615842 Mg\n0.891343 0.165701 0.884158 Mg\n0.608657 0.665701 0.384158 Mg\n0.726271 0.464137 0.580535 Si\n0.039890 0.366722 0.708412 Si\n0.273729 0.535864 0.419465 Si\n0.539890 0.133278 0.791588 Si\n0.226271 0.035863 0.919465 Si\n0.960110 0.633278 0.291588 Si\n0.773729 0.964136 0.080535 Si\n0.460110 0.866722 0.208412 Si\n0.278720 0.952505 0.265321 O\n0.451466 0.147352 0.643343 O\n0.919356 0.489997 0.662734 O\n0.580644 0.989997 0.162734 O\n0.419356 0.010003 0.837266 O\n0.946497 0.797479 0.440383 O\n0.951466 0.352648 0.856657 O\n0.907844 0.961454 0.209198 O\n0.553503 0.297479 0.940383 O\n0.686166 0.624906 0.560564 O\n0.407844 0.538546 0.290802 O\n0.446497 0.702521 0.059617 O\n0.092156 0.038546 0.790802 O\n0.221280 0.452505 0.765321 O\n0.048534 0.647352 0.143343 O\n0.729153 0.303807 0.429330 O\n0.053503 0.202521 0.559617 O\n0.229153 0.196193 0.070670 O\n0.721280 0.047495 0.734679 O\n0.080644 0.510003 0.337266 O\n0.770847 0.803807 0.929330 O\n0.313834 0.375094 0.439436 O\n0.778720 0.547495 0.234679 O\n0.548534 0.852648 0.356657 O\n0.186166 0.875094 0.939436 O\n0.813834 0.124906 0.060564 O\n0.270847 0.696193 0.570670 O\n0.592156 0.461454 0.709198 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Sr",
"density": 3.670099834274193,
"density_atomic": 0.0721277624908087,
"volume": 665.4857761062071,
"volume_molar": 8.3492687864363,
"formula_full": "Sr8 Mg4 Si8 O28",
"formula_reduced": "Sr2MgSi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -363.90242961,
"energy_per_atom": -7.581300616875001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.66642961,
"band_gap": 4.5031,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.373000Z",
"spacegroup": 14
}
]
}