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"structure_string": "Tb4 Mn4 O12\n1.0\n5.287070 -0.000000 0.000000\n0.000000 5.647264 0.000000\n-0.000000 -0.000000 7.587292\nTb Mn O\n4 4 12\ndirect\n0.518449 0.572173 0.250000 Tb\n0.981551 0.072173 0.250000 Tb\n0.481551 0.427827 0.750000 Tb\n0.018449 0.927826 0.750000 Tb\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.303098 0.693500 0.553326 O\n0.196902 0.193500 0.946673 O\n0.303098 0.693500 0.946673 O\n0.196902 0.193500 0.553326 O\n0.696902 0.306499 0.446674 O\n0.104784 0.467521 0.250000 O\n0.895216 0.532479 0.750000 O\n0.604784 0.032479 0.750000 O\n0.803098 0.806499 0.446674 O\n0.395216 0.967520 0.250000 O\n0.803098 0.806499 0.053326 O\n0.696902 0.306499 0.053326 O\n",
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{
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"created_at": "2022-09-04T14:38:27.157344Z",
"updated_at": "2022-09-04T14:38:27.157361Z",
"structure_string": "K12 V4 S16\n1.0\n9.112141 -0.000000 0.000000\n-0.000000 9.124411 0.000000\n0.000000 0.000000 10.475104\nK V S\n12 4 16\ndirect\n0.051069 0.207241 0.044061 K\n0.139515 0.412475 0.750000 K\n0.360485 0.912475 0.250000 K\n0.639515 0.087525 0.750000 K\n0.860485 0.587525 0.250000 K\n0.948931 0.792758 0.544061 K\n0.551069 0.292759 0.455939 K\n0.448931 0.707241 0.955939 K\n0.551069 0.292759 0.044061 K\n0.051069 0.207241 0.455939 K\n0.448931 0.707241 0.544061 K\n0.948931 0.792758 0.955939 K\n0.283826 0.483992 0.250000 V\n0.216174 0.983992 0.750000 V\n0.783825 0.016008 0.250000 V\n0.716174 0.516008 0.750000 V\n0.331073 0.050501 0.579520 S\n0.668927 0.949498 0.079521 S\n0.168927 0.550501 0.079521 S\n0.831073 0.449499 0.579520 S\n0.668927 0.949498 0.420479 S\n0.003044 0.921960 0.250000 S\n0.496956 0.421960 0.750000 S\n0.503044 0.578040 0.250000 S\n0.801701 0.251849 0.250000 S\n0.698299 0.751849 0.750000 S\n0.301701 0.248151 0.250000 S\n0.198299 0.748150 0.750000 S\n0.331073 0.050501 0.920479 S\n0.168927 0.550501 0.420479 S\n-0.003044 0.078040 0.750000 S\n0.831073 0.449499 0.920479 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"V",
"S"
],
"chemical_system": "K-S-V",
"density": 2.2612308358668582,
"density_atomic": 0.03674230213695297,
"volume": 870.9307294007723,
"volume_molar": 16.390210764565378,
"formula_full": "K12 V4 S16",
"formula_reduced": "K3VS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1671060249999998,
"spacegroup": 62
}
]
}