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{
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"structure_string": "Cu3 Ge4 O12\n1.0\n5.899741 -0.000146 -2.085817\n-2.950028 5.109357 -2.085905\n0.000095 0.000057 6.257718\nCu Ge O\n3 4 12\ndirect\n0.500000 0.500000 -0.000000 Cu\n-0.000000 0.500001 0.500001 Cu\n0.499999 0.000000 0.500000 Cu\n0.499999 0.500001 0.500000 Ge\n-0.000000 0.500000 0.000000 Ge\n-0.000000 0.000001 0.500000 Ge\n0.500000 -0.000000 -0.000000 Ge\n0.687054 0.503988 0.816933 O\n0.183069 0.312945 0.496015 O\n0.503982 0.816932 0.687053 O\n0.687055 0.870123 0.183068 O\n0.129878 0.816932 0.312948 O\n0.816930 0.687056 0.503985 O\n0.312944 0.496013 0.183067 O\n0.870121 0.183069 0.687052 O\n0.183068 0.687057 0.870126 O\n0.816931 0.312944 0.129874 O\n0.496016 0.183069 0.312948 O\n0.312944 0.129877 0.816933 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Cu-Ge-O",
"density": 5.926162257801849,
"density_atomic": 0.10072560151043199,
"volume": 188.63128852134182,
"volume_molar": 5.978758795872068,
"formula_full": "Cu3 Ge4 O12",
"formula_reduced": "Cu3(GeO3)4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 1.9815851131578943,
"spacegroup": 204
},
{
"id": "jvasp-10329",
"created_at": "2022-09-04T14:37:20.138730Z",
"updated_at": "2022-09-04T14:37:20.138757Z",
"structure_string": "Cr4 Cu3 O12\n1.0\n5.838983 -0.000053 -2.065728\n-2.919563 5.056650 -2.065800\n0.000034 -0.000028 6.197281\nCr Cu O\n4 3 12\ndirect\n0.000001 0.000001 0.500001 Cr\n0.999999 0.500000 0.999999 Cr\n0.500000 0.500000 0.500000 Cr\n0.500001 1.000000 0.000000 Cr\n0.500001 0.500001 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.999999 0.499999 Cu\n0.692570 0.507367 0.814130 O\n0.183853 0.304837 0.492610 O\n0.507366 0.814796 0.693237 O\n0.695163 0.879020 0.187778 O\n0.120981 0.816146 0.308760 O\n0.816146 0.695163 0.507389 O\n0.307430 0.492633 0.185869 O\n0.879018 0.183854 0.691240 O\n0.185202 0.692570 0.878439 O\n0.814797 0.307430 0.121559 O\n0.492633 0.185203 0.306762 O\n0.304837 0.120981 0.812222 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Cr-Cu-O",
"density": 5.359879902290818,
"density_atomic": 0.1038376718969396,
"volume": 182.9779082379445,
"volume_molar": 5.799572207259292,
"formula_full": "Cr4 Cu3 O12",
"formula_reduced": "Cr4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 3.02442805,
"spacegroup": 204
}
]
}