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"created_at": "2022-09-04T14:36:19.637660Z",
"updated_at": "2022-09-04T14:36:19.637687Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n6.384573 0.708636 8.477214\n3.339263 5.487647 8.477214\n1.112064 0.708636 10.554110\nK Pb S O\n2 1 2 8\ndirect\n0.726219 0.726223 0.726220 K\n0.273779 0.273780 0.273779 K\n0.499999 0.500001 0.500000 Pb\n0.592773 0.592777 0.592775 S\n0.407224 0.407226 0.407225 S\n0.715961 0.715964 0.289979 O\n0.284036 0.710021 0.284037 O\n0.715961 0.289981 0.715962 O\n0.710019 0.284039 0.284037 O\n0.284036 0.284039 0.710020 O\n0.359329 0.359331 0.359330 O\n0.289978 0.715964 0.715962 O\n0.640668 0.640672 0.640670 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Pb",
"S",
"O"
],
"chemical_system": "K-O-Pb-S",
"density": 2.817294720623324,
"density_atomic": 0.04618844414772304,
"volume": 281.45568095826115,
"volume_molar": 13.038197911017697,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.910718832307692,
"spacegroup": 166
},
{
"id": "jvasp-99703",
"created_at": "2022-09-04T14:36:14.168295Z",
"updated_at": "2022-09-04T14:36:14.168316Z",
"structure_string": "K2 La1 Au1 Cl6\n1.0\n6.665093 0.000000 3.848093\n2.221697 6.283910 3.848093\n0.000000 0.000000 7.696186\nK La Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.747691 0.252309 0.252309 Cl\n0.252309 0.252309 0.747691 Cl\n0.252309 0.747691 0.747691 Cl\n0.252309 0.747691 0.252308 Cl\n0.747691 0.252309 0.747691 Cl\n0.747691 0.747691 0.252308 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"La",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-La",
"density": 3.2289186435990374,
"density_atomic": 0.031023320171733038,
"volume": 322.3381618938234,
"volume_molar": 19.411657832442728,
"formula_full": "K2 La1 Au1 Cl6",
"formula_reduced": "K2LaAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}