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{
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{
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{
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{
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"structure_string": "Ge7 O16\n1.0\n7.852403 0.000000 0.000000\n0.000000 7.852403 0.000000\n0.000000 0.000000 7.852403\nGe O\n7 16\ndirect\n0.000000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.863594 0.863594 0.136406 Ge\n0.863594 0.136406 0.863594 Ge\n0.136406 0.863594 0.863594 Ge\n0.136406 0.136406 0.136406 Ge\n0.627578 0.867840 0.132160 O\n0.867840 0.867840 0.372422 O\n0.867840 0.627578 0.132160 O\n0.627578 0.132160 0.867840 O\n0.867840 0.132160 0.627578 O\n0.867840 0.372422 0.867840 O\n0.372422 0.867840 0.867840 O\n0.132160 0.867840 0.627578 O\n0.132160 0.627578 0.867840 O\n0.372422 0.132160 0.132160 O\n0.132160 0.132160 0.372422 O\n0.132160 0.372422 0.132160 O\n0.115394 0.115394 0.884606 O\n0.115394 0.884606 0.115394 O\n0.884606 0.115394 0.115394 O\n0.884606 0.884606 0.884606 O\n",
"nsites": 23,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ge-O",
"density": 2.62181492198571,
"density_atomic": 0.047502896879123346,
"volume": 484.1809976037078,
"volume_molar": 12.677417916898918,
"formula_full": "Ge7 O16",
"formula_reduced": "Ge7O16",
"formula_anonymous": "A7B16",
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"energy_per_atom": -6.5074148430434775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.67854139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9980593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.981000Z",
"spacegroup": 215
},
{
"id": "mp-1073428",
"created_at": "2022-09-04T14:42:19.593790Z",
"structure_string": "Mg4 Si8\n1.0\n1.902200 5.181905 0.000000\n-1.902200 5.181905 0.000000\n0.000000 4.317892 11.337546\nMg Si\n4 8\ndirect\n0.207404 0.207404 0.876116 Mg\n0.243313 0.243313 0.134134 Mg\n0.322557 0.322557 0.417121 Mg\n0.875348 0.875348 0.618888 Mg\n0.552430 0.552430 0.087494 Si\n0.460194 0.460194 0.931826 Si\n0.159739 0.159739 0.652777 Si\n0.024593 0.024593 0.362350 Si\n0.946909 0.946909 0.821514 Si\n0.928764 0.928764 0.208278 Si\n0.674834 0.674834 0.335668 Si\n0.601924 0.601924 0.554065 Si\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.3915572895559305,
"density_atomic": 0.05368915442474906,
"volume": 223.50882833923654,
"volume_molar": 11.216680211346329,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.97979583,
"energy_per_atom": -3.998316319166667,
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"energy_uncorrected": -48.54779583,
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"total_magnetization": 0.0140543,
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"updated_at": "2021-11-28T01:35:44.598000Z",
"spacegroup": 8
}
]
}