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"structure_string": "K4 Mo4 O14\n1.0\n6.425337 0.154927 2.596197\n0.064033 7.192561 0.937457\n-0.025016 -0.014236 7.554726\nK Mo O\n4 4 14\ndirect\n0.236145 0.617790 0.434877 K\n0.763855 0.382210 0.565125 K\n0.303117 0.159065 0.155290 K\n0.696882 0.840934 0.844712 K\n0.825790 0.349271 0.054183 Mo\n0.749349 0.913548 0.313751 Mo\n0.250651 0.086452 0.686250 Mo\n0.174209 0.650729 0.945818 Mo\n0.386450 0.538044 0.786189 O\n0.613549 0.461956 0.213813 O\n0.710865 0.206828 0.952635 O\n0.518932 0.089045 0.642919 O\n0.852506 0.150478 0.267044 O\n0.175097 0.230613 0.516202 O\n0.824902 0.769387 0.483800 O\n0.876319 0.814251 0.096886 O\n0.123681 0.185749 0.903116 O\n0.058613 0.469606 0.142722 O\n0.941387 0.530394 0.857279 O\n0.481067 0.910955 0.357082 O\n0.147493 0.849521 0.732957 O\n0.289134 0.793171 0.047366 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mo",
"O"
],
"chemical_system": "K-Mo-O",
"density": 3.6294425985846708,
"density_atomic": 0.06292711967215486,
"volume": 349.6107896661757,
"volume_molar": 9.570024484474835,
"formula_full": "K4 Mo4 O14",
"formula_reduced": "K2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7622893,
"spacegroup": 2
},
{
"id": "jvasp-49245",
"created_at": "2022-09-04T14:38:10.345031Z",
"updated_at": "2022-09-04T14:38:10.345068Z",
"structure_string": "Ca4 Sb4 O14\n1.0\n6.400051 -0.000000 3.693795\n2.227269 6.082871 3.532345\n0.007567 0.003187 7.378309\nCa Sb O\n4 4 14\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.000001 Ca\n0.500000 -0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.594542 0.675472 0.135444 O\n0.405458 0.324528 0.864557 O\n0.905458 0.364557 0.824528 O\n0.328796 0.320583 0.442995 O\n0.250000 0.900704 0.599297 O\n0.592374 0.057006 0.179418 O\n0.828796 0.942994 0.820584 O\n0.907626 0.320583 0.442995 O\n0.671204 0.679417 0.557007 O\n0.407626 0.942994 0.820583 O\n0.171204 0.057006 0.179417 O\n0.092374 0.679417 0.557006 O\n0.750000 0.099296 0.400704 O\n0.094542 0.635443 0.175473 O\n",
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"elements": [
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],
"chemical_system": "Ca-O-Sb",
"density": 5.0409935338152545,
"density_atomic": 0.076647903090156,
"volume": 287.0267693314821,
"volume_molar": 7.856889121828346,
"formula_full": "Ca4 Sb4 O14",
"formula_reduced": "Ca2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.902942503636364,
"spacegroup": 74
}
]
}