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{
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{
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{
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"structure_string": "Au6 F18\n1.0\n2.547289 -4.412034 0.000000\n2.547289 4.412034 -0.000000\n-0.000000 -0.000000 16.628551\nAu F\n6 18\ndirect\n0.516821 0.758411 0.583333 Au\n0.241590 0.483180 0.250000 Au\n0.241590 0.758411 0.916667 Au\n0.483180 0.241590 0.083333 Au\n0.758411 0.516821 0.750000 Au\n0.758411 0.241590 0.416667 Au\n0.789828 0.317712 0.004485 F\n0.472117 0.789828 0.171152 F\n0.317712 0.527883 0.837818 F\n0.210172 0.682289 0.504485 F\n0.210172 0.527883 0.662182 F\n0.472117 0.682289 0.995515 F\n0.317712 0.789828 0.328848 F\n0.789828 0.472117 0.162182 F\n0.842278 0.842278 0.666667 F\n0.682289 0.210172 0.828848 F\n0.682289 0.472117 0.337818 F\n0.157722 0.000000 0.000000 F\n0.000000 0.157722 0.333333 F\n0.157722 0.157722 0.166667 F\n0.842278 0.000001 0.500000 F\n0.000001 0.842278 0.833333 F\n0.527883 0.317712 0.495515 F\n0.527883 0.210172 0.671152 F\n",
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"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9705163985416667,
"spacegroup": 8
},
{
"id": "jvasp-96544",
"created_at": "2022-09-04T14:35:45.015257Z",
"updated_at": "2022-09-04T14:35:45.015284Z",
"structure_string": "Tb6 Cu2 Si2 Se14\n1.0\n10.342688 -0.000000 0.000000\n-5.171344 8.957030 -0.000000\n0.000000 0.000000 6.005754\nTb Cu Si Se\n6 2 2 14\ndirect\n0.132575 0.356277 0.739548 Tb\n0.643723 0.776297 0.739548 Tb\n0.223703 0.867425 0.739548 Tb\n0.776298 0.132575 0.239548 Tb\n0.867426 0.643723 0.239548 Tb\n0.356277 0.223703 0.239548 Tb\n0.000000 0.000000 0.195793 Cu\n0.000000 0.000000 0.695792 Cu\n0.666667 0.333333 0.827780 Si\n0.333333 0.666667 0.327781 Si\n0.421536 0.521107 0.482508 Se\n0.478894 0.900429 0.482508 Se\n0.737757 0.837027 0.211920 Se\n0.099270 0.262244 0.211920 Se\n0.262244 0.162973 0.711920 Se\n0.333333 0.666667 0.949895 Se\n0.837027 0.099270 0.711920 Se\n0.900730 0.737756 0.711920 Se\n0.900430 0.421536 0.982507 Se\n0.162974 0.900730 0.211920 Se\n0.578464 0.478893 0.982507 Se\n0.666667 0.333333 0.449895 Se\n0.521107 0.099571 0.982507 Se\n0.099571 0.578464 0.482508 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Se-Si-Tb",
"density": 6.6922033048695555,
"density_atomic": 0.043136633626090756,
"volume": 556.3716493974125,
"volume_molar": 13.96061828143578,
"formula_full": "Tb6 Cu2 Si2 Se14",
"formula_reduced": "Tb3CuSiSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.5869073180555553,
"spacegroup": 173
}
]
}