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{
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"structure_string": "Li2 Mn2 C3 O9\n1.0\n4.858622 0.000000 0.000000\n0.000000 5.016718 3.407862\n0.000000 -5.016718 3.407862\nLi Mn C O\n2 2 3 9\ndirect\n0.000000 0.862601 0.862601 Li\n0.500000 0.589296 0.589296 Li\n0.500000 0.182849 0.750915 Mn\n0.500000 0.750915 0.182849 Mn\n0.000000 0.420049 0.827842 C\n0.000000 0.827842 0.420049 C\n0.500000 0.201150 0.201150 C\n0.000000 0.219057 0.853799 O\n0.000000 0.853799 0.219057 O\n0.231418 0.520815 0.813272 O\n0.231418 0.813272 0.520815 O\n0.500000 0.178976 0.402425 O\n0.500000 0.007862 0.007862 O\n0.500000 0.402425 0.178976 O\n0.768581 0.520815 0.813272 O\n0.768581 0.813272 0.520815 O\n",
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"created_at": "2022-09-04T14:35:41.661930Z",
"updated_at": "2022-09-04T14:35:41.661966Z",
"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n5.840694 -0.022527 0.016862\n-2.939856 5.091965 -0.000018\n0.027066 0.015599 9.505269\nLi Ti Cr O\n4 5 3 16\ndirect\n0.331493 0.665758 0.894888 Li\n0.993021 0.996513 0.993170 Li\n0.996840 0.998427 0.496861 Li\n0.669160 0.334593 0.399356 Li\n0.347510 0.173767 0.721665 Ti\n0.177383 0.834467 0.217349 Ti\n0.336143 0.668082 0.496709 Ti\n0.177381 0.342938 0.217347 Ti\n0.681256 0.340637 0.990840 Ti\n0.828417 0.168813 0.712836 Cr\n0.657060 0.828540 0.212249 Cr\n0.828416 0.659626 0.712836 Cr\n0.332071 0.166044 0.095774 O\n0.834579 0.667874 0.095943 O\n0.662995 0.331510 0.602720 O\n0.514558 0.034923 0.841598 O\n0.514559 0.479658 0.841600 O\n0.665224 0.832622 0.597073 O\n0.482514 0.518937 0.340569 O\n0.037313 0.518667 0.339750 O\n0.167359 0.333524 0.596236 O\n-0.003016 -0.001495 0.808115 O\n0.996324 0.998173 0.310755 O\n0.329058 0.664540 0.100988 O\n0.957909 0.478967 0.837864 O\n0.167359 0.833856 0.596237 O\n0.482516 0.963600 0.340570 O\n0.834580 0.166722 0.095940 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.9978566608791017,
"density_atomic": 0.0992696941213431,
"volume": 282.0599000312621,
"volume_molar": 6.066444359784961,
"formula_full": "Li4 Ti5 Cr3 O16",
"formula_reduced": "Li4Ti5Cr3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.3321378523809524,
"spacegroup": 8
}
]
}