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{
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"structure_string": "Sn1 H8 C5 O6\n1.0\n5.029785 0.000061 0.388491\n0.207405 4.919434 0.533960\n0.111582 -0.090543 7.298897\nSn H C O\n1 8 5 6\ndirect\n0.200526 0.988272 0.238901 Sn\n0.559308 0.853612 0.857912 H\n0.434314 0.585852 0.752758 H\n0.957584 0.433574 0.904803 H\n0.977931 0.712303 0.739360 H\n0.701462 0.218529 0.639156 H\n0.048728 0.191955 0.648174 H\n0.826456 0.044830 0.038945 H\n0.572899 0.913380 0.441467 H\n0.574373 0.633887 0.850887 C\n0.862177 0.533902 0.786340 C\n0.920894 0.478431 0.440952 C\n0.483806 0.494586 0.036948 C\n0.879679 0.340098 0.633941 C\n0.476832 0.233140 0.048932 O\n0.003435 0.954500 0.021555 O\n0.398616 0.010068 0.458594 O\n0.959769 0.340661 0.300601 O\n0.915874 0.739240 0.420100 O\n0.425704 0.622752 0.179657 O\n",
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"created_at": "2022-09-04T14:37:19.392576Z",
"updated_at": "2022-09-04T14:37:19.392644Z",
"structure_string": "Be12 Si6 O24\n1.0\n7.386635 0.001189 -2.399388\n-3.302516 6.607251 -2.399388\n0.000735 0.001189 7.766559\nBe Si O\n12 6 24\ndirect\n0.127330 0.897993 0.721512 Be\n0.794228 0.568751 0.390139 Be\n0.568751 0.390140 0.794228 Be\n0.390139 0.794228 0.568751 Be\n0.431249 0.609860 0.205772 Be\n0.609860 0.205772 0.431249 Be\n0.205772 0.431249 0.609860 Be\n0.102006 0.278487 0.872669 Be\n0.872670 0.102007 0.278487 Be\n0.721513 0.127331 0.897993 Be\n0.897993 0.721513 0.127330 Be\n0.278487 0.872669 0.102006 Be\n0.461641 0.233994 0.054570 Si\n0.538358 0.766006 0.945430 Si\n0.054569 0.461641 0.233994 Si\n0.233994 0.054570 0.461641 Si\n0.766005 0.945430 0.538358 Si\n0.945430 0.538359 0.766006 Si\n0.959541 0.662440 0.628684 O\n0.706340 0.375468 0.671113 O\n0.671113 0.706341 0.375467 O\n0.375467 0.671113 0.706340 O\n0.293659 0.624532 0.328887 O\n0.294448 0.996400 0.962486 O\n0.996400 0.962486 0.294449 O\n0.962486 0.294450 0.996400 O\n0.705551 0.003600 0.037514 O\n0.003600 0.037514 0.705551 O\n0.037513 0.705550 0.003600 O\n0.583679 0.250537 0.916037 O\n0.250536 0.916037 0.583679 O\n0.916038 0.583679 0.250536 O\n0.416321 0.749463 0.083962 O\n0.749464 0.083963 0.416321 O\n0.083962 0.416321 0.749463 O\n0.337561 0.371316 0.040459 O\n0.371316 0.040459 0.337561 O\n0.040459 0.337561 0.371315 O\n0.328887 0.293660 0.624532 O\n0.628684 0.959541 0.662439 O\n0.624532 0.328887 0.293659 O\n0.662439 0.628685 0.959541 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si",
"density": 2.8935953392388107,
"density_atomic": 0.11078219828020558,
"volume": 379.1222836521787,
"volume_molar": 5.436018470014445,
"formula_full": "Be12 Si6 O24",
"formula_reduced": "Be2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.252660685714285,
"spacegroup": 148
},
{
"id": "jvasp-43010",
"created_at": "2022-09-04T14:38:14.919234Z",
"updated_at": "2022-09-04T14:38:14.919245Z",
"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.520527191847885,
"density_atomic": 0.11079261605933959,
"volume": 135.38808391315652,
"volume_molar": 5.435507323678134,
"formula_full": "Li3 Mn4 O8",
"formula_reduced": "Li3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.042294464367816,
"spacegroup": 166
}
]
}