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{
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"created_at": "2022-09-04T14:38:05.982486Z",
"updated_at": "2022-09-04T14:38:05.982505Z",
"structure_string": "Ca4 Al2 Cr2 O10\n1.0\n5.357905 0.002200 -0.001462\n-0.002473 5.662942 -0.000692\n-2.675751 -2.831780 7.079650\nCa Al Cr O\n4 2 2 10\ndirect\n0.102244 0.576762 0.215397 Ca\n0.386744 0.861218 0.784306 Ca\n0.886720 0.423238 0.784306 Ca\n0.602219 0.138791 0.215405 Ca\n0.207990 0.172749 0.499849 Al\n0.707973 0.827266 0.499851 Al\n0.506083 0.500003 0.999851 Cr\n0.006079 -0.000000 0.999850 Cr\n0.769652 0.772776 0.035865 O\n0.733780 0.227359 0.963887 O\n0.881642 0.785083 0.712560 O\n0.169035 0.214927 0.287149 O\n0.876979 0.103058 0.499854 O\n0.668971 0.572377 0.287145 O\n0.376965 0.896955 0.499846 O\n0.269621 0.763210 0.035806 O\n0.381727 0.427632 0.712558 O\n0.233762 0.236655 0.963844 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Ca-Cr-O",
"density": 3.6976973522434573,
"density_atomic": 0.0838087861640758,
"volume": 214.77461760107923,
"volume_molar": 7.18557210482707,
"formula_full": "Ca4 Al2 Cr2 O10",
"formula_reduced": "Ca2AlCrO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.9891576155555557,
"spacegroup": 46
}
]
}