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{
"id": "jvasp-54576",
"created_at": "2022-09-04T14:38:36.105377Z",
"updated_at": "2022-09-04T14:38:36.105412Z",
"structure_string": "Tl2 Mo4 Cl14 O4\n1.0\n6.941581 0.000000 0.000000\n0.000000 8.845628 0.000000\n0.000000 0.000000 9.513037\nTl Mo Cl O\n2 4 14 4\ndirect\n0.500000 0.445737 0.000000 Tl\n0.000000 0.554263 0.500000 Tl\n0.000000 0.177643 0.815596 Mo\n0.500000 0.822357 0.684404 Mo\n0.500000 0.822357 0.315596 Mo\n0.000000 0.177643 0.184404 Mo\n0.761832 0.099442 0.000000 Cl\n0.741174 0.695448 0.194232 Cl\n0.741174 0.695448 0.805768 Cl\n0.238167 0.099442 0.000000 Cl\n0.758826 0.304552 0.694232 Cl\n0.241174 0.304552 0.694232 Cl\n0.000000 0.407636 0.000000 Cl\n0.261832 0.900559 0.500000 Cl\n0.241174 0.304552 0.305768 Cl\n0.258826 0.695448 0.194232 Cl\n0.758826 0.304552 0.305768 Cl\n0.500000 0.592365 0.500000 Cl\n0.738167 0.900559 0.500000 Cl\n0.258826 0.695448 0.805768 Cl\n0.500000 0.992125 0.240275 O\n0.500000 0.992125 0.759725 O\n0.000000 0.007875 0.740275 O\n0.000000 0.007875 0.259725 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tl",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tl",
"density": 3.8458973734333566,
"density_atomic": 0.04108705266965868,
"volume": 584.1256172098989,
"volume_molar": 14.657027868166207,
"formula_full": "Tl2 Mo4 Cl14 O4",
"formula_reduced": "TlMo2Cl7O2",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.611520822708333,
"spacegroup": 59
}
]
}