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"created_at": "2022-09-04T14:38:34.733903Z",
"updated_at": "2022-09-04T14:38:34.733935Z",
"structure_string": "Pr2 Al14 Au6\n1.0\n7.173181 -0.006915 4.587131\n2.507982 6.720461 4.587131\n-0.009972 -0.006915 8.514470\nPr Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500001 0.500000 Pr\n0.647667 0.431313 0.830822 Al\n0.169177 0.352333 0.568688 Al\n0.330822 0.931312 0.147668 Al\n0.931312 0.147669 0.330822 Al\n0.750000 0.750001 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.147668 0.330823 0.931312 Al\n0.352332 0.568688 0.169177 Al\n0.852332 0.669178 0.068687 Al\n0.068687 0.852333 0.669177 Al\n0.669177 0.068689 0.852332 Al\n0.830822 0.647669 0.431312 Al\n0.431312 0.830823 0.647668 Al\n0.568687 0.169178 0.352332 Al\n0.250000 0.570188 0.929812 Au\n0.070187 0.750000 0.429812 Au\n0.750000 0.429813 0.070187 Au\n0.429812 0.070188 0.750000 Au\n0.929812 0.250001 0.570187 Au\n0.570187 0.929813 0.250000 Au\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Au"
],
"chemical_system": "Al-Au-Pr",
"density": 7.438416629465913,
"density_atomic": 0.05352001935624308,
"volume": 411.0611368348415,
"volume_molar": 11.252127395386529,
"formula_full": "Pr2 Al14 Au6",
"formula_reduced": "PrAl7Au3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.5769038327272729,
"spacegroup": 167
},
{
"id": "jvasp-13024",
"created_at": "2022-09-04T14:36:46.254274Z",
"updated_at": "2022-09-04T14:36:46.254299Z",
"structure_string": "Li2 Dy4 Br10\n1.0\n6.154638 -0.000000 -2.605815\n-0.219932 7.698645 -0.519456\n0.032743 0.158753 8.648518\nLi Dy Br\n2 4 10\ndirect\n0.500000 0.499999 0.500000 Li\n-0.000000 -0.000000 0.500000 Li\n0.263549 0.071301 0.152485 Dy\n0.111064 0.428698 0.847515 Dy\n0.736451 0.928698 0.847515 Dy\n0.888936 0.571301 0.152484 Dy\n0.728657 0.170116 0.584691 Br\n0.143965 0.329883 0.415308 Br\n0.125679 0.750000 -0.000000 Br\n0.874322 0.250000 -0.000001 Br\n0.689203 0.905229 0.181919 Br\n0.507283 0.594770 0.818080 Br\n0.310797 0.094770 0.818080 Br\n0.492717 0.405229 0.181920 Br\n0.856035 0.670116 0.584691 Br\n0.271343 0.829883 0.415308 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Li",
"density": 5.9099435443903685,
"density_atomic": 0.03892539661884522,
"volume": 411.0426967943548,
"volume_molar": 15.470981115410034,
"formula_full": "Li2 Dy4 Br10",
"formula_reduced": "LiDy2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.258021690625,
"spacegroup": 15
}
]
}