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],
"chemical_system": "B-Ca-Na-O",
"density": 3.0585430951458963,
"density_atomic": 0.08704393817116853,
"volume": 390.60732676341365,
"volume_molar": 6.918506775460565,
"formula_full": "Na2 Ca8 B6 O18",
"formula_reduced": "NaCa4(BO3)3",
"formula_anonymous": "AB3C4D9",
"energy_above_hull": 2.2303705841176464,
"spacegroup": 40
},
{
"id": "jvasp-99278",
"created_at": "2022-09-04T14:35:42.265371Z",
"updated_at": "2022-09-04T14:35:42.265398Z",
"structure_string": "Li8 Cu16 O16\n1.0\n5.738455 0.000000 0.000000\n-0.000000 5.738455 0.000000\n-0.000000 -0.000000 12.533072\nLi Cu O\n8 16 16\ndirect\n0.506054 0.750001 0.679125 Li\n0.493947 0.250000 0.320874 Li\n0.750001 0.993948 0.179125 Li\n0.750001 0.506054 0.179125 Li\n0.006053 0.250000 0.320874 Li\n0.250000 0.493947 0.820874 Li\n0.250000 0.006053 0.820874 Li\n0.993948 0.750001 0.679125 Li\n0.750001 0.002294 0.847389 Cu\n0.750001 0.497706 0.847389 Cu\n0.750001 0.001708 0.492566 Cu\n0.998293 0.250000 0.007434 Cu\n0.497706 0.750001 0.347389 Cu\n0.001708 0.750001 0.992565 Cu\n0.501708 0.250000 0.007434 Cu\n0.250000 0.502295 0.152611 Cu\n0.250000 0.998293 0.507434 Cu\n0.250000 0.997707 0.152611 Cu\n0.750001 0.498293 0.492566 Cu\n0.002294 0.750001 0.347389 Cu\n0.250000 0.501708 0.507434 Cu\n0.502295 0.250000 0.652611 Cu\n0.498293 0.750001 0.992565 Cu\n0.997707 0.250000 0.652611 Cu\n0.250000 0.007979 0.657539 O\n0.250000 0.492022 0.657539 O\n0.492022 0.250000 0.157539 O\n0.992381 0.250000 0.858846 O\n0.507979 0.750001 0.842461 O\n0.750001 0.992022 0.342461 O\n0.492380 0.750001 0.141154 O\n0.507621 0.250000 0.858846 O\n0.250000 0.507621 0.358846 O\n0.750001 0.507979 0.342461 O\n0.007979 0.250000 0.157539 O\n0.250000 0.992381 0.358846 O\n0.750001 0.007620 0.641154 O\n0.992022 0.750001 0.842461 O\n0.007620 0.750001 0.141154 O\n0.750001 0.492380 0.641154 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 5.344202002567576,
"density_atomic": 0.09691979705230494,
"volume": 412.71237885912103,
"volume_molar": 6.213530097210187,
"formula_full": "Li8 Cu16 O16",
"formula_reduced": "Li(CuO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7759155799999997,
"spacegroup": 137
}
]
}