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{
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{
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{
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"created_at": "2022-09-04T14:37:33.665045Z",
"updated_at": "2022-09-04T14:37:33.665069Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.196501 2.715938 4.463244\n4.729913 -2.043882 5.073098\n4.093071 2.126203 -5.712395\nAl H O\n4 12 12\ndirect\n0.458738 0.833258 0.286790 Al\n0.544411 0.154964 0.704724 Al\n0.959854 0.662412 0.617656 Al\n0.037083 0.329349 0.376376 Al\n0.829939 0.599230 0.850798 H\n0.164641 0.383494 0.139677 H\n0.503576 0.932098 0.014917 H\n0.683942 0.834873 0.736785 H\n0.309174 0.147009 0.240577 H\n0.404595 0.181480 0.949197 H\n0.176557 0.694878 0.452958 H\n0.361775 0.482954 0.048143 H\n0.624237 0.511689 0.937008 H\n0.940818 0.941529 0.200001 H\n0.978363 0.964972 0.528367 H\n0.819547 0.290492 0.539793 H\n0.579752 0.169299 0.992719 O\n0.417913 0.802995 0.996149 O\n0.495214 0.869906 0.581652 O\n0.500279 0.117584 0.403933 O\n0.992554 0.397107 0.609658 O\n0.507612 0.423507 0.729757 O\n0.479913 0.558819 0.258443 O\n0.081526 0.068553 0.392628 O\n0.922209 0.920800 0.606694 O\n0.008471 0.271519 0.082588 O\n0.000096 0.589991 0.380041 O\n0.980887 0.716998 0.909503 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4876825540961756,
"density_atomic": 0.13444030434912058,
"volume": 208.27087632357893,
"volume_molar": 4.4794161908183705,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448640471428572,
"spacegroup": 1
}
]
}