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{
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{
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{
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"id": "jvasp-101893",
"created_at": "2022-09-04T14:36:57.417764Z",
"updated_at": "2022-09-04T14:36:57.417784Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n4.204001 0.158499 -0.391928\n-0.319538 6.266547 -0.345303\n0.532348 0.217745 7.548141\nCa H C O\n2 4 6 8\ndirect\n0.945729 0.194672 0.505046 Ca\n0.945728 0.194672 0.005047 Ca\n0.235687 0.738989 0.856255 H\n0.235683 0.738988 0.356253 H\n0.236308 0.645772 0.639457 H\n0.236310 0.645770 0.139454 H\n0.395339 0.692448 0.250197 C\n0.395338 0.692449 0.750198 C\n0.567841 0.893212 0.202059 C\n0.565394 0.492635 0.302589 C\n0.565393 0.492636 0.802588 C\n0.567840 0.893211 0.702059 C\n0.431697 0.373931 0.913269 O\n0.828240 0.438584 0.734734 O\n0.828241 0.438584 0.234733 O\n0.432997 0.011926 0.589762 O\n0.432995 0.011927 0.089764 O\n0.833216 0.947984 0.774614 O\n0.833216 0.947983 0.274614 O\n0.431697 0.373931 0.413270 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.349953841094866,
"density_atomic": 0.09957357403652861,
"volume": 200.85650428358625,
"volume_molar": 6.047930706786497,
"formula_full": "Ca2 H4 C6 O8",
"formula_reduced": "CaH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.750496442,
"spacegroup": 1
}
]
}