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{
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{
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"id": "mp-1204970",
"created_at": "2022-09-04T14:44:02.532357Z",
"structure_string": "Yb26 Zn116\n1.0\n0.000000 0.000000 -13.984606\n-7.190817 -12.454786 -0.000000\n-7.190817 12.454786 0.000000\nYb Zn\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Yb\n-0.000000 -0.000000 -0.000000 Yb\n0.750000 0.455769 0.911539 Yb\n0.750000 0.455772 0.544228 Yb\n0.750000 0.088461 0.544231 Yb\n0.250000 0.544231 0.088461 Yb\n0.250000 0.544228 0.455772 Yb\n0.250000 0.911539 0.455769 Yb\n0.750000 0.124122 0.248242 Yb\n0.750000 0.124118 0.875882 Yb\n0.750000 0.751758 0.875878 Yb\n0.250000 0.875878 0.751758 Yb\n0.250000 0.875882 0.124118 Yb\n0.250000 0.248242 0.124122 Yb\n0.553465 0.793070 0.586141 Yb\n0.553465 0.793070 0.206930 Yb\n0.553465 0.413859 0.206930 Yb\n0.446535 0.206930 0.413859 Yb\n0.446535 0.206930 0.793070 Yb\n0.446535 0.586141 0.793070 Yb\n0.053465 0.206930 0.413859 Yb\n0.053465 0.206930 0.793070 Yb\n0.053465 0.586141 0.793070 Yb\n0.946535 0.793070 0.586141 Yb\n0.946535 0.793070 0.206930 Yb\n0.946535 0.413859 0.206930 Yb\n0.750000 0.999999 0.000001 Zn\n0.250000 0.000001 0.999999 Zn\n0.250000 0.666666 0.333334 Zn\n0.750000 0.333334 0.666666 Zn\n0.594961 0.666667 0.333333 Zn\n0.405039 0.333333 0.666667 Zn\n0.094961 0.333333 0.666667 Zn\n0.905039 0.666667 0.333333 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.750000 0.729851 0.459698 Zn\n0.750000 0.729850 0.270150 Zn\n0.750000 0.540302 0.270149 Zn\n0.250000 0.270149 0.540302 Zn\n0.250000 0.270150 0.729850 Zn\n0.250000 0.459698 0.729851 Zn\n0.500000 0.800508 1.000000 Zn\n0.500000 0.199495 0.199495 Zn\n0.500000 1.000000 0.800508 Zn\n0.500000 0.199492 0.000000 Zn\n0.500000 0.000000 0.199492 Zn\n0.500000 0.800505 0.800505 Zn\n1.000000 0.199492 0.000000 Zn\n-0.000000 0.800505 0.800505 Zn\n0.000000 0.000000 0.199492 Zn\n0.000000 0.800508 1.000000 Zn\n1.000000 1.000000 0.800508 Zn\n-0.000000 0.199495 0.199495 Zn\n0.750000 0.913582 0.634575 Zn\n0.750000 0.720995 0.086417 Zn\n0.750000 0.365428 0.279009 Zn\n0.750000 0.720991 0.634572 Zn\n0.750000 0.365425 0.086418 Zn\n0.750000 0.913583 0.279005 Zn\n0.250000 0.086418 0.365425 Zn\n0.250000 0.279005 0.913583 Zn\n0.250000 0.634572 0.720991 Zn\n0.250000 0.279009 0.365428 Zn\n0.250000 0.634575 0.913582 Zn\n0.250000 0.086417 0.720995 Zn\n0.659248 0.900662 0.801326 Zn\n0.659248 0.900664 0.099336 Zn\n0.659248 0.198674 0.099338 Zn\n0.340752 0.099338 0.198674 Zn\n0.340752 0.099336 0.900664 Zn\n0.340752 0.801326 0.900662 Zn\n0.159248 0.099338 0.198674 Zn\n0.159248 0.099336 0.900664 Zn\n0.159248 0.801326 0.900662 Zn\n0.840752 0.900662 0.801326 Zn\n0.840752 0.900664 0.099336 Zn\n0.840752 0.198674 0.099338 Zn\n0.145742 0.436639 0.873281 Zn\n0.145742 0.436643 0.563357 Zn\n0.145742 0.126719 0.563361 Zn\n0.854258 0.563361 0.126719 Zn\n0.854258 0.563357 0.436643 Zn\n0.854258 0.873281 0.436639 Zn\n0.645742 0.563361 0.126719 Zn\n0.645742 0.563357 0.436643 Zn\n0.645742 0.873281 0.436639 Zn\n0.354258 0.436639 0.873281 Zn\n0.354258 0.436643 0.563357 Zn\n0.354258 0.126719 0.563361 Zn\n0.552331 0.398374 0.796754 Zn\n0.552334 0.398377 0.601623 Zn\n0.552331 0.203246 0.601626 Zn\n0.447669 0.601626 0.203246 Zn\n0.447666 0.601623 0.398377 Zn\n0.447669 0.796754 0.398374 Zn\n0.052331 0.601626 0.203246 Zn\n0.052334 0.601623 0.398377 Zn\n0.052331 0.796754 0.398374 Zn\n0.947669 0.398374 0.796754 Zn\n0.947666 0.398377 0.601623 Zn\n0.947669 0.203246 0.601626 Zn\n0.160652 0.764101 0.528201 Zn\n0.160655 0.764102 0.235898 Zn\n0.160652 0.471799 0.235899 Zn\n0.839348 0.235899 0.471799 Zn\n0.839345 0.235898 0.764102 Zn\n0.839348 0.528201 0.764101 Zn\n0.660652 0.235899 0.471799 Zn\n0.660655 0.235898 0.764102 Zn\n0.660652 0.528201 0.764101 Zn\n0.339348 0.764101 0.528201 Zn\n0.339345 0.764102 0.235898 Zn\n0.339348 0.471799 0.235899 Zn\n0.604254 0.634437 0.963974 Zn\n0.604254 0.329536 0.365562 Zn\n0.604254 0.036023 0.670462 Zn\n0.604254 0.329538 0.963977 Zn\n0.604254 0.036026 0.365563 Zn\n0.604254 0.634438 0.670464 Zn\n0.395746 0.365563 0.036026 Zn\n0.395746 0.670464 0.634438 Zn\n0.395746 0.963977 0.329538 Zn\n0.395746 0.670462 0.036023 Zn\n0.395746 0.963974 0.634437 Zn\n0.395746 0.365562 0.329536 Zn\n0.104254 0.365563 0.036026 Zn\n0.104254 0.670464 0.634438 Zn\n0.104254 0.963977 0.329538 Zn\n0.104254 0.670462 0.036023 Zn\n0.104254 0.963974 0.634437 Zn\n0.104254 0.365562 0.329536 Zn\n0.895746 0.634437 0.963974 Zn\n0.895746 0.329536 0.365562 Zn\n0.895746 0.036023 0.670462 Zn\n0.895746 0.329538 0.963977 Zn\n0.895746 0.036026 0.365563 Zn\n0.895746 0.634438 0.670464 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.012247233407093,
"density_atomic": 0.056688322706127794,
"volume": 2504.9250572490537,
"volume_molar": 10.623247385918916,
"formula_full": "Yb26 Zn116",
"formula_reduced": "Yb13Zn58",
"formula_anonymous": "A13B58",
"energy": -226.78686732,
"energy_per_atom": -1.5970906149295774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.78686732,
"band_gap": 0.0762,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.725000Z",
"spacegroup": 194
}
]
}