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"id": "jvasp-11442",
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{
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{
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"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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{
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{
"id": "jvasp-85252",
"created_at": "2022-09-04T14:37:16.363657Z",
"updated_at": "2022-09-04T14:37:16.363682Z",
"structure_string": "Tb2 Fe17\n1.0\n6.208488 0.035807 0.801177\n0.708975 6.167977 0.801177\n0.039925 0.035807 6.259841\nTb Fe\n2 17\ndirect\n0.655654 0.655655 0.655654 Tb\n0.344346 0.344347 0.344346 Tb\n0.295676 0.704323 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.846779 0.336502 0.336502 Fe\n0.336501 0.846780 0.336502 Fe\n0.663498 0.663500 0.153221 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.295678 0.704323 Fe\n0.336502 0.336502 0.846779 Fe\n0.295678 0.000001 0.704323 Fe\n-0.000000 0.704323 0.295677 Fe\n0.704323 0.295678 0.000000 Fe\n0.704323 0.000001 0.295677 Fe\n0.909537 0.909538 0.909538 Fe\n0.663499 0.153222 0.663499 Fe\n0.090463 0.090463 0.090463 Fe\n0.500000 0.000000 0.000000 Fe\n0.153221 0.663500 0.663499 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 8.797066098635833,
"density_atomic": 0.07943132620965945,
"volume": 239.20033702886175,
"volume_molar": 7.581568944353925,
"formula_full": "Tb2 Fe17",
"formula_reduced": "Tb2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.063985278947369,
"spacegroup": 166
}
]
}