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"structure_string": "Na4 Zn4 O6\n1.0\n0.000000 5.862666 -0.003267\n5.909937 0.000000 0.000000\n0.000000 -2.840637 -5.277494\nNa Zn O\n4 4 6\ndirect\n0.865687 0.343122 0.099083 Na\n0.865687 0.156879 0.599083 Na\n0.134313 0.656879 0.900916 Na\n0.134313 0.843122 0.400917 Na\n0.341558 0.124005 0.081051 Zn\n0.341557 0.375995 0.581050 Zn\n0.658442 0.875995 0.918949 Zn\n0.658443 0.624006 0.418949 Zn\n-0.000000 0.500000 0.500000 O\n0.646106 0.584663 0.756351 O\n0.353893 0.084662 0.743648 O\n0.353894 0.415338 0.243649 O\n0.000000 0.000000 0.000000 O\n0.646107 0.915338 0.256351 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Na-O-Zn",
"density": 4.081606846796214,
"density_atomic": 0.07654063100588618,
"volume": 182.9093883341955,
"volume_molar": 7.867900591957338,
"formula_full": "Na4 Zn4 O6",
"formula_reduced": "Na2Zn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.2090013285714287,
"spacegroup": 14
},
{
"id": "jvasp-102054",
"created_at": "2022-09-04T14:36:59.215843Z",
"updated_at": "2022-09-04T14:36:59.215862Z",
"structure_string": "Rb3 Ga1 Br6\n1.0\n6.967025 0.000000 4.022414\n2.322341 6.568575 4.022414\n-0.000000 -0.000000 8.044828\nRb Ga Br\n3 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.776274 0.223727 0.223726 Br\n0.223727 0.223727 0.776273 Br\n0.223727 0.776272 0.776273 Br\n0.223727 0.776272 0.223727 Br\n0.776274 0.223727 0.776272 Br\n0.776274 0.776272 0.223726 Br\n",
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],
"chemical_system": "Br-Ga-Rb",
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"formula_full": "Rb3 Ga1 Br6",
"formula_reduced": "Rb3GaBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102056",
"created_at": "2022-09-04T14:36:40.021595Z",
"updated_at": "2022-09-04T14:36:40.021621Z",
"structure_string": "Zr1 Sb1 Rh1\n1.0\n3.875695 0.000000 2.237634\n1.291898 3.654041 2.237634\n0.000000 -0.000000 4.475268\nZr Sb Rh\n1 1 1\ndirect\n0.500001 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n",
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],
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"density": 8.276414466970632,
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"volume": 63.37851464207029,
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"formula_full": "Zr1 Sb1 Rh1",
"formula_reduced": "ZrSbRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
}
]
}