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"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9452901031852976,
"density_atomic": 0.12326839386133874,
"volume": 202.80948925254773,
"volume_molar": 4.8853891669701985,
"formula_full": "Zn1 H12 C8 O4",
"formula_reduced": "ZnH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.438020576,
"spacegroup": 1
},
{
"id": "jvasp-57511",
"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9455215901214928,
"density_atomic": 0.058498833495835977,
"volume": 307.69844327376654,
"volume_molar": 10.294462983486095,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4741952000000005,
"spacegroup": 166
}
]
}