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"structure_string": "Rb2 Tl1 Ag1 I6\n1.0\n7.299920 -0.000000 4.214610\n2.433307 6.882431 4.214610\n0.000000 0.000000 8.429222\nRb Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.743098 0.256902 0.256902 I\n0.256902 0.256902 0.743098 I\n0.256903 0.743098 0.743097 I\n0.256903 0.743098 0.256902 I\n0.743098 0.256902 0.743098 I\n0.743098 0.743098 0.256902 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"I"
],
"chemical_system": "Ag-I-Rb-Tl",
"density": 4.880185077663212,
"density_atomic": 0.023613074713719786,
"volume": 423.4941921472747,
"volume_molar": 25.50341636153375,
"formula_full": "Rb2 Tl1 Ag1 I6",
"formula_reduced": "Rb2TlAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119611",
"created_at": "2022-09-04T14:38:36.184878Z",
"updated_at": "2022-09-04T14:38:36.184896Z",
"structure_string": "Tb12 Os4\n1.0\n6.323032 0.000000 0.000000\n0.000000 7.371460 0.000000\n-0.000000 -0.000000 9.086081\nTb Os\n12 4\ndirect\n0.333438 0.676473 0.062486 Tb\n0.166561 0.176473 0.437514 Tb\n0.666561 0.323527 0.562486 Tb\n0.833438 0.823527 0.937514 Tb\n0.666561 0.323527 0.937514 Tb\n0.833438 0.823527 0.562486 Tb\n0.333438 0.676473 0.437514 Tb\n0.166561 0.176473 0.062486 Tb\n0.870650 0.537367 0.250000 Tb\n0.629349 0.037367 0.250000 Tb\n0.129349 0.462633 0.750000 Tb\n0.370650 0.962633 0.750000 Tb\n0.042637 0.883743 0.250000 Os\n0.457363 0.383743 0.250000 Os\n0.957362 0.116257 0.750000 Os\n0.542637 0.616257 0.750000 Os\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Os-Tb",
"density": 10.461244796670478,
"density_atomic": 0.0377802202616533,
"volume": 423.50203067079275,
"volume_molar": 15.939930255283445,
"formula_full": "Tb12 Os4",
"formula_reduced": "Tb3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 2.48253505,
"spacegroup": 62
}
]
}