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"O"
],
"chemical_system": "Li-O-Zn",
"density": 3.573014801394474,
"density_atomic": 0.10417963344963094,
"volume": 441.54503598095505,
"volume_molar": 5.780535562079514,
"formula_full": "Li20 Zn8 O18",
"formula_reduced": "Li10Zn4O9",
"formula_anonymous": "A4B9C10",
"energy_above_hull": 1.152654047826087,
"spacegroup": 137
},
{
"id": "jvasp-91381",
"created_at": "2022-09-04T14:36:22.305388Z",
"updated_at": "2022-09-04T14:36:22.305406Z",
"structure_string": "Ca4 Fe9 O17\n1.0\n5.889872 0.000000 0.000000\n-2.944936 5.029189 -0.764970\n0.000000 0.035209 11.133858\nCa Fe O\n4 9 17\ndirect\n0.786972 0.585073 0.755892 Ca\n0.201899 0.414927 0.244108 Ca\n0.535370 0.081275 0.255994 Ca\n0.454095 0.918725 0.744007 Ca\n0.254728 0.000000 0.500000 Fe\n0.258112 0.497890 0.504290 Fe\n0.760222 0.502110 0.495710 Fe\n0.864693 0.739819 0.234884 Fe\n0.124875 0.260181 0.765116 Fe\n0.149296 0.000000 0.000000 Fe\n0.491920 0.662900 -0.000199 Fe\n0.829021 0.337101 0.000199 Fe\n0.764023 0.000000 0.500000 Fe\n0.596500 0.206962 0.593237 O\n0.389537 0.793038 0.406763 O\n0.823243 0.657153 0.971912 O\n0.914806 0.308154 0.405341 O\n0.606652 0.691846 0.594659 O\n0.411892 0.310446 0.408302 O\n0.101447 0.689554 0.591698 O\n0.492991 0.000000 0.000000 O\n0.584071 0.734440 0.167917 O\n0.849630 0.265560 0.832083 O\n0.842201 0.433623 0.169471 O\n0.408578 0.566378 0.830529 O\n0.140996 -0.003225 0.170512 O\n0.144221 0.003225 0.829488 O\n0.166091 0.342847 0.028089 O\n0.924481 0.794053 0.400928 O\n0.130428 0.205947 0.599072 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.704994005004928,
"density_atomic": 0.09092072979751831,
"volume": 329.9577562433826,
"volume_molar": 6.623506843171396,
"formula_full": "Ca4 Fe9 O17",
"formula_reduced": "Ca4Fe9O17",
"formula_anonymous": "A4B9C17",
"energy_above_hull": 2.946798689333333,
"spacegroup": 5
}
]
}