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{
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{
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"structure_string": "Dy8 B16 C8\n1.0\n6.783936 -0.000000 0.000000\n0.000000 6.783936 -0.000000\n-0.000000 0.000000 7.491189\nDy B C\n8 16 8\ndirect\n0.309346 0.809347 0.750000 Dy\n0.190654 0.309346 0.250000 Dy\n0.809347 0.690654 0.250000 Dy\n0.690654 0.190654 0.750000 Dy\n0.690654 0.190654 0.250000 Dy\n0.809347 0.690654 0.750000 Dy\n0.190654 0.309346 0.750000 Dy\n0.309346 0.809347 0.250000 Dy\n0.905282 0.403079 0.500000 B\n0.094719 0.596922 0.500000 B\n0.903079 0.405282 0.000000 B\n0.403079 0.094719 0.000000 B\n0.596922 0.905282 0.000000 B\n0.594719 0.903079 0.500000 B\n0.405282 0.096922 0.500000 B\n0.096922 0.594719 0.000000 B\n0.465550 0.347794 0.500000 B\n0.965550 0.152207 0.500000 B\n0.034450 0.847794 0.500000 B\n0.652207 0.465550 0.000000 B\n0.347794 0.534451 0.000000 B\n0.847794 0.965550 0.000000 B\n0.534451 0.652207 0.500000 B\n0.152207 0.034450 0.000000 B\n0.177326 0.040592 0.500000 C\n0.677327 0.459408 0.500000 C\n0.322674 0.540593 0.500000 C\n0.959408 0.177326 0.000000 C\n0.040592 0.822674 0.000000 C\n0.540593 0.677327 0.000000 C\n0.822674 0.959408 0.500000 C\n0.459408 0.322674 0.000000 C\n",
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{
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"structure_string": "Dy8 Br16\n1.0\n6.635516 0.000000 0.000000\n-0.000000 7.608340 0.000000\n0.000000 0.000000 12.858474\nDy Br\n8 16\ndirect\n0.675066 0.048662 0.096308 Dy\n0.175066 0.951338 0.403692 Dy\n0.824935 0.548661 0.903692 Dy\n0.324934 0.451338 0.596307 Dy\n0.324934 0.951338 0.903692 Dy\n0.824935 0.048662 0.596307 Dy\n0.175066 0.451338 0.096308 Dy\n0.675066 0.548661 0.403692 Dy\n0.702975 0.380899 0.704889 Br\n0.202975 0.619101 0.795110 Br\n0.202975 0.119101 0.704889 Br\n0.702975 0.880899 0.795110 Br\n0.297025 0.619101 0.295111 Br\n0.797026 0.380899 0.204889 Br\n0.019497 0.296233 0.453598 Br\n0.980503 0.703767 0.546402 Br\n0.480503 0.796233 0.546402 Br\n0.980503 0.203767 0.953597 Br\n0.297025 0.119101 0.204889 Br\n0.480503 0.296233 0.953597 Br\n0.519498 0.203767 0.453598 Br\n0.019497 0.796233 0.046402 Br\n0.519498 0.703767 0.046402 Br\n0.797026 0.880899 0.295111 Br\n",
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{
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"volume_molar": 16.56580675183753,
"formula_full": "Dy8 Sb6",
"formula_reduced": "Dy4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5623748999999998,
"spacegroup": 220
},
{
"id": "jvasp-27512",
"created_at": "2022-09-04T14:36:37.353978Z",
"updated_at": "2022-09-04T14:36:37.354027Z",
"structure_string": "Dy8 Se12\n1.0\n4.010682 0.000000 0.000000\n-0.000000 10.947503 0.000000\n0.000000 0.000000 11.118662\nDy Se\n8 12\ndirect\n0.250000 0.998675 0.806057 Dy\n0.750000 0.001325 0.193942 Dy\n0.750000 0.498675 0.693942 Dy\n0.250000 0.501325 0.306058 Dy\n0.250000 0.187458 0.486588 Dy\n0.750000 0.812542 0.513412 Dy\n0.750000 0.687458 0.013412 Dy\n0.250000 0.312542 0.986588 Dy\n0.750000 0.125463 0.955104 Se\n0.250000 0.874537 0.044896 Se\n0.250000 0.556205 0.881250 Se\n0.750000 0.443795 0.118750 Se\n0.750000 0.056205 0.618750 Se\n0.750000 0.696208 0.273787 Se\n0.250000 0.196208 0.226213 Se\n0.750000 0.803791 0.773786 Se\n0.750000 0.374537 0.455104 Se\n0.250000 0.303791 0.726213 Se\n0.250000 0.943795 0.381250 Se\n0.250000 0.625463 0.544896 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Se"
],
"chemical_system": "Dy-Se",
"density": 7.644812401865095,
"density_atomic": 0.04096794367457027,
"volume": 488.1865723813337,
"volume_molar": 14.699641280111598,
"formula_full": "Dy8 Se12",
"formula_reduced": "Dy2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0985006199999998,
"spacegroup": 62
}
]
}