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{
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{
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{
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"id": "mp-1200992",
"created_at": "2022-09-04T14:40:03.506053Z",
"structure_string": "Y4 Zn34\n1.0\n9.026372 0.000000 0.000000\n-4.513186 7.817068 0.000000\n0.000000 0.000000 8.696976\nY Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.333333 0.666667 0.401786 Zn\n0.666667 0.333333 0.598214 Zn\n0.666667 0.333333 0.901786 Zn\n0.333333 0.666667 0.098214 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.329018 0.365018 0.250000 Zn\n0.634982 0.964000 0.250000 Zn\n0.036000 0.670982 0.250000 Zn\n0.634982 0.670982 0.250000 Zn\n0.036000 0.365018 0.250000 Zn\n0.329018 0.964000 0.250000 Zn\n0.670982 0.634982 0.750000 Zn\n0.365018 0.036000 0.750000 Zn\n0.964000 0.329018 0.750000 Zn\n0.365018 0.329018 0.750000 Zn\n0.964000 0.634982 0.750000 Zn\n0.670982 0.036000 0.750000 Zn\n0.161742 0.838258 0.519358 Zn\n0.161742 0.323484 0.519358 Zn\n0.676516 0.838258 0.519358 Zn\n0.838258 0.161742 0.480642 Zn\n0.838258 0.676516 0.480642 Zn\n0.323484 0.161742 0.480642 Zn\n0.838258 0.161742 0.019358 Zn\n0.838258 0.676516 0.019358 Zn\n0.323484 0.161742 0.019358 Zn\n0.161742 0.838258 0.980642 Zn\n0.161742 0.323484 0.980642 Zn\n0.676516 0.838258 0.980642 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.980140913133826,
"density_atomic": 0.061923886678168026,
"volume": 613.6565716149942,
"volume_molar": 9.725069085696092,
"formula_full": "Y4 Zn34",
"formula_reduced": "Y2Zn17",
"formula_anonymous": "A2B17",
"energy": -78.03539814,
"energy_per_atom": -2.0535631089473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.03539814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0573725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.934000Z",
"spacegroup": 194
}
]
}