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{
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{
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"created_at": "2022-09-04T14:36:18.910197Z",
"updated_at": "2022-09-04T14:36:18.910213Z",
"structure_string": "Nd2 Fe1 Co3 Si4\n1.0\n3.977951 0.000000 -0.000000\n0.000000 3.977951 0.000000\n-0.000000 0.000000 9.925681\nNd Fe Co Si\n2 1 3 4\ndirect\n0.500000 0.000000 0.751393 Nd\n0.000000 0.500000 0.248607 Nd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.886847 Si\n0.500000 0.000000 0.384206 Si\n0.500000 0.000000 0.113153 Si\n0.000000 0.500000 0.615794 Si\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Nd-Si",
"density": 6.697247966103813,
"density_atomic": 0.0636679443773047,
"volume": 157.0649107302518,
"volume_molar": 9.45867000874411,
"formula_full": "Nd2 Fe1 Co3 Si4",
"formula_reduced": "Nd2FeCo3Si4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.4144395600000004,
"spacegroup": 115
},
{
"id": "jvasp-86556",
"created_at": "2022-09-04T14:36:09.566733Z",
"updated_at": "2022-09-04T14:36:09.566759Z",
"structure_string": "Ba1 Bi4 Cl2 O6\n1.0\n3.966950 0.000000 -0.501518\n-0.063405 3.966443 -0.501518\n0.018454 0.018752 16.085806\nBa Bi Cl O\n1 4 2 6\ndirect\n0.500001 0.500000 -0.000000 Ba\n0.211043 0.211043 0.422086 Bi\n0.788957 0.788955 0.577914 Bi\n0.910734 0.910733 0.821468 Bi\n0.089266 0.089266 0.178532 Bi\n0.332859 0.332858 0.665719 Cl\n0.667141 0.667140 0.334281 Cl\n0.441316 0.941315 0.882632 O\n0.058684 0.558683 0.117368 O\n0.558684 0.058684 0.117368 O\n0.941316 0.441315 0.882632 O\n0.250000 0.749999 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 7.477952329847152,
"density_atomic": 0.051346940892227126,
"volume": 253.17963980144205,
"volume_molar": 11.728334065002942,
"formula_full": "Ba1 Bi4 Cl2 O6",
"formula_reduced": "BaBi4(ClO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5831471003846154,
"spacegroup": 139
}
]
}