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"structure_string": "Ba6 Er2 Mn4 O18\n1.0\n5.817091 -0.000000 0.000000\n-2.908545 5.037659 0.000000\n0.000000 0.000000 14.240759\nBa Er Mn O\n6 2 4 18\ndirect\n0.333296 0.666593 0.091331 Ba\n0.333356 0.666714 0.397160 Ba\n0.666703 0.333407 0.591331 Ba\n0.000012 0.000023 0.744256 Ba\n-0.000012 -0.000023 0.244256 Ba\n0.666643 0.333286 0.897160 Ba\n0.999965 0.999932 0.994259 Er\n0.000034 0.000068 0.494259 Er\n0.333368 0.666735 0.652523 Mn\n0.666685 0.333372 0.335999 Mn\n0.333314 0.666628 0.835999 Mn\n0.666632 0.333265 0.152523 Mn\n0.643443 0.821792 0.583344 O\n0.178353 0.356705 0.583319 O\n0.356557 0.178209 0.083344 O\n0.178347 0.821792 0.583344 O\n0.477931 0.955863 0.744277 O\n0.643357 0.821628 0.905196 O\n0.821653 0.178209 0.083344 O\n0.821646 0.643295 0.083319 O\n0.821730 0.178372 0.405196 O\n0.477925 0.522085 0.744256 O\n0.178270 0.821628 0.905196 O\n0.356642 0.178372 0.405196 O\n0.955840 0.477915 0.244256 O\n0.522068 0.044137 0.244277 O\n0.178271 0.356542 0.905186 O\n0.821728 0.643458 0.405186 O\n0.044159 0.522085 0.744256 O\n0.522074 0.477915 0.244256 O\n",
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"created_at": "2022-09-04T14:38:35.239154Z",
"updated_at": "2022-09-04T14:38:35.239183Z",
"structure_string": "Ho12 Ga2 Co4\n1.0\n7.665421 -0.042987 -2.794591\n-4.094008 6.653256 -2.354472\n0.068196 0.042987 8.158662\nHo Ga Co\n12 2 4\ndirect\n0.811316 0.485211 0.673896 Ho\n0.038771 0.219934 0.818838 Ho\n0.401095 0.219933 0.181163 Ho\n0.697204 0.739149 0.436353 Ho\n0.302797 0.260851 0.563647 Ho\n0.188684 0.862580 0.673896 Ho\n0.188684 0.514790 0.326105 Ho\n0.811316 0.137421 0.326105 Ho\n0.598906 0.780067 0.818838 Ho\n0.302796 0.739149 0.041946 Ho\n0.697204 0.260851 0.958055 Ho\n0.961229 0.780067 0.181163 Ho\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.837224 0.500000 0.337224 Co\n0.162776 0.500000 0.662776 Co\n0.000001 0.884389 0.884388 Co\n0.000000 0.115612 0.115612 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ho",
"density": 9.370785615036556,
"density_atomic": 0.04314492766777638,
"volume": 417.19852073001954,
"volume_molar": 13.957934537221977,
"formula_full": "Ho12 Ga2 Co4",
"formula_reduced": "Ho6GaCo2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.873016391666667,
"spacegroup": 71
},
{
"id": "jvasp-100898",
"created_at": "2022-09-04T14:37:06.901927Z",
"updated_at": "2022-09-04T14:37:06.901947Z",
"structure_string": "K2 Hg1 As1 I6\n1.0\n7.263559 -0.000000 4.193618\n2.421186 6.848149 4.193618\n-0.000000 -0.000000 8.387235\nK Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757184 0.242817 0.242817 I\n0.242817 0.242817 0.757184 I\n0.242817 0.757184 0.757184 I\n0.242817 0.757184 0.242817 I\n0.757184 0.242817 0.757184 I\n0.757184 0.757184 0.242817 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"As",
"I"
],
"chemical_system": "As-Hg-I-K",
"density": 4.438488214587284,
"density_atomic": 0.02396947483461039,
"volume": 417.1972923478757,
"volume_molar": 25.124208192097782,
"formula_full": "K2 Hg1 As1 I6",
"formula_reduced": "K2HgAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}