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{
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"structure_string": "Er6 Si4 Ni12\n1.0\n7.102069 -0.000000 -2.510960\n-3.551034 6.150572 -2.510960\n-0.000000 -0.000000 7.532881\nEr Si Ni\n6 4 12\ndirect\n0.713376 0.713376 0.000000 Er\n0.286624 0.000000 0.286624 Er\n0.000000 0.286624 0.286624 Er\n0.286624 0.286624 0.000000 Er\n0.713376 0.000000 0.713376 Er\n0.000000 0.713376 0.713376 Er\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.669633 0.669632 0.339264 Ni\n0.660737 0.330368 0.330368 Ni\n0.330368 0.000000 0.669632 Ni\n0.330368 0.669632 0.000000 Ni\n0.000000 0.330368 0.669632 Ni\n0.330368 0.330368 0.660736 Ni\n0.669633 0.330368 0.000000 Ni\n0.000000 0.669632 0.330368 Ni\n0.669632 0.000000 0.330368 Ni\n0.669633 0.339263 0.669632 Ni\n0.330368 0.660736 0.330368 Ni\n0.339264 0.669632 0.669632 Ni\n",
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"structure_string": "Sr4 P4 O16\n1.0\n6.648433 -0.075416 -1.160737\n-0.021545 7.159019 -0.700311\n-0.429025 0.652276 6.918537\nSr P O\n4 4 16\ndirect\n0.405108 0.347105 0.228069 Sr\n0.594891 0.652896 0.771931 Sr\n0.904772 0.153210 0.727915 Sr\n0.095228 0.846791 0.272085 Sr\n0.604975 0.840897 0.301874 P\n0.395025 0.159103 0.698126 P\n0.895105 0.341116 0.198520 P\n0.104894 0.658884 0.801480 P\n0.943925 0.504432 0.742805 O\n0.056075 0.495569 0.257195 O\n0.288611 0.596699 0.966986 O\n0.711389 0.403301 0.033014 O\n0.001889 0.826210 0.878811 O\n-0.001889 0.173791 0.121189 O\n0.556162 0.004345 0.756801 O\n0.497837 0.325600 0.620990 O\n0.306614 0.210765 0.877100 O\n0.693386 0.789236 0.122900 O\n0.806418 0.290448 0.377080 O\n0.502163 0.674400 0.379010 O\n0.210966 0.096625 0.533180 O\n0.789034 0.903376 0.466820 O\n0.443837 0.995655 0.243199 O\n0.193581 0.709552 0.622920 O\n",
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"created_at": "2022-09-04T14:38:44.003697Z",
"updated_at": "2022-09-04T14:38:44.003741Z",
"structure_string": "Yb4 Ga18 Co6\n1.0\n7.276332 -0.004038 0.000000\n-3.593404 6.327121 0.000000\n-0.000000 -0.000000 9.530784\nYb Ga Co\n4 18 6\ndirect\n0.331037 0.001100 0.250000 Yb\n0.998900 0.668962 0.750000 Yb\n0.668963 0.998900 0.750000 Yb\n0.001100 0.331037 0.250000 Yb\n0.665187 0.445708 0.250000 Ga\n0.554292 0.334813 0.750000 Ga\n0.334813 0.554291 0.750000 Ga\n0.445709 0.665187 0.250000 Ga\n0.881745 0.881744 0.250000 Ga\n0.118255 0.118255 0.750000 Ga\n0.334923 0.334923 0.438960 Ga\n0.665077 0.665077 0.561040 Ga\n0.334923 0.334923 0.061040 Ga\n0.002157 0.334130 0.568624 Ga\n0.665870 0.997842 0.431376 Ga\n0.002157 0.334130 0.931375 Ga\n0.665870 0.997842 0.068624 Ga\n0.997843 0.665869 0.431376 Ga\n0.334130 0.002157 0.568624 Ga\n0.997843 0.665869 0.068624 Ga\n0.334130 0.002157 0.931375 Ga\n0.665077 0.665077 0.938959 Ga\n0.671713 0.328287 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.328287 0.671713 -0.000000 Co\n0.328287 0.671713 0.500000 Co\n0.671713 0.328287 0.500000 Co\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Yb",
"density": 8.709887169969347,
"density_atomic": 0.06383335318810217,
"volume": 438.6421612145371,
"volume_molar": 9.434160136087698,
"formula_full": "Yb4 Ga18 Co6",
"formula_reduced": "Yb2(Ga3Co)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.3578222299999997,
"spacegroup": 63
},
{
"id": "jvasp-116567",
"created_at": "2022-09-04T14:38:44.037058Z",
"updated_at": "2022-09-04T14:38:44.037096Z",
"structure_string": "Tb6 Fe23\n1.0\n7.269123 -0.000000 4.196830\n2.423041 6.853395 4.196830\n-0.000000 -0.000000 8.393660\nTb Fe\n6 23\ndirect\n0.792011 0.792011 0.207989 Tb\n0.207989 0.792011 0.207989 Tb\n0.792011 0.207989 0.207989 Tb\n0.207989 0.207989 0.792011 Tb\n0.792011 0.207989 0.792011 Tb\n0.207989 0.792011 0.792011 Tb\n0.175533 0.473403 0.175533 Fe\n0.175533 0.175533 0.473403 Fe\n0.824467 0.824467 0.824468 Fe\n0.526597 0.824467 0.824468 Fe\n0.824467 0.526597 0.824468 Fe\n0.824467 0.824467 0.526597 Fe\n0.378101 0.378100 0.378101 Fe\n0.865699 0.378100 0.378101 Fe\n0.378101 0.865699 0.378101 Fe\n0.378101 0.378100 0.865699 Fe\n0.621899 0.134301 0.621900 Fe\n0.134301 0.621899 0.621900 Fe\n0.473403 0.175533 0.175533 Fe\n0.621899 0.621899 0.134301 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.621899 0.621899 0.621900 Fe\n0.175533 0.175533 0.175533 Fe\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 8.887252555768274,
"density_atomic": 0.06935197662627506,
"volume": 418.1567910641628,
"volume_molar": 8.683445019097581,
"formula_full": "Tb6 Fe23",
"formula_reduced": "Tb6Fe23",
"formula_anonymous": "A6B23",
"energy_above_hull": 3.877896789655172,
"spacegroup": 225
}
]
}