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{
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{
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{
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{
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{
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{
"id": "mp-1187996",
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{
"id": "mp-1187815",
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"structure_string": "Yb2 Zn6\n1.0\n3.108561 -5.384185 0.000000\n3.108561 5.384185 0.000000\n0.000000 0.000000 4.647222\nYb Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.150361 0.300722 0.250000 Zn\n0.699278 0.849639 0.250000 Zn\n0.150361 0.849639 0.250000 Zn\n0.849639 0.699278 0.750000 Zn\n0.300722 0.150361 0.750000 Zn\n0.849639 0.150361 0.750000 Zn\n",
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{
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{
"id": "mp-1204970",
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{
"id": "mp-1202230",
"created_at": "2022-09-04T14:39:23.628279Z",
"structure_string": "Yb12 Zn68\n1.0\n-7.061458 7.061458 7.061458\n7.061458 -7.061458 7.061458\n7.061458 7.061458 -7.061458\nYb Zn\n12 68\ndirect\n0.301962 0.117905 0.815944 Yb\n0.698038 0.882095 0.184056 Yb\n0.698038 0.513982 0.815944 Yb\n0.301962 0.486018 0.184056 Yb\n0.117905 0.815944 0.301962 Yb\n0.882095 0.184056 0.698038 Yb\n0.513982 0.815944 0.698038 Yb\n0.486018 0.184056 0.301962 Yb\n0.815944 0.301962 0.117905 Yb\n0.184056 0.698038 0.882095 Yb\n0.815944 0.698038 0.513982 Yb\n0.184056 0.301962 0.486018 Yb\n0.591082 0.000000 0.591082 Zn\n0.408918 0.000000 0.408918 Zn\n0.000000 0.591082 0.591082 Zn\n0.000000 0.408918 0.408918 Zn\n0.591082 0.591082 0.000000 Zn\n0.408918 0.408918 0.000000 Zn\n0.306190 0.500000 0.806190 Zn\n0.693810 0.500000 0.193810 Zn\n0.500000 0.806190 0.306190 Zn\n0.500000 0.193810 0.693810 Zn\n0.806190 0.306190 0.500000 Zn\n0.193810 0.693810 0.500000 Zn\n0.000000 0.000000 0.674285 Zn\n0.674285 0.000000 0.000000 Zn\n0.000000 0.674285 0.000000 Zn\n0.325715 0.325715 0.325715 Zn\n0.000000 0.000000 0.325715 Zn\n0.325715 0.000000 0.000000 Zn\n0.000000 0.325715 0.000000 Zn\n0.674285 0.674285 0.674285 Zn\n0.092086 0.857904 0.765818 Zn\n0.907914 0.142096 0.234182 Zn\n0.907914 0.673732 0.765818 Zn\n0.092086 0.326268 0.234182 Zn\n0.857904 0.765818 0.092086 Zn\n0.142096 0.234182 0.907914 Zn\n0.673732 0.765818 0.907914 Zn\n0.326268 0.234182 0.092086 Zn\n0.765818 0.092086 0.857904 Zn\n0.234182 0.907914 0.142096 Zn\n0.765818 0.907914 0.673732 Zn\n0.234182 0.092086 0.326268 Zn\n0.348576 0.944942 0.596366 Zn\n0.651424 0.055058 0.403634 Zn\n0.651424 0.247789 0.596366 Zn\n0.348576 0.752211 0.403634 Zn\n0.944942 0.596366 0.348576 Zn\n0.055058 0.403634 0.651424 Zn\n0.247789 0.596366 0.651424 Zn\n0.752211 0.403634 0.348576 Zn\n0.596366 0.348576 0.944942 Zn\n0.403634 0.651424 0.055058 Zn\n0.596366 0.651424 0.247789 Zn\n0.403634 0.348576 0.752211 Zn\n0.138713 0.228083 0.683980 Zn\n0.455898 0.771917 0.910630 Zn\n0.861287 0.545268 0.089370 Zn\n0.544102 0.454732 0.316020 Zn\n0.228083 0.683980 0.138713 Zn\n0.771917 0.910630 0.455898 Zn\n0.545268 0.089370 0.861287 Zn\n0.454732 0.316020 0.544102 Zn\n0.683980 0.138713 0.228083 Zn\n0.910630 0.455898 0.771917 Zn\n0.089370 0.861287 0.545268 Zn\n0.316020 0.544102 0.454732 Zn\n0.861287 0.771917 0.316020 Zn\n0.544102 0.228083 0.089370 Zn\n0.138713 0.454732 0.910630 Zn\n0.455898 0.545268 0.683980 Zn\n0.771917 0.316020 0.861287 Zn\n0.228083 0.089370 0.544102 Zn\n0.454732 0.910630 0.138713 Zn\n0.545268 0.683980 0.455898 Zn\n0.316020 0.861287 0.771917 Zn\n0.089370 0.544102 0.228083 Zn\n0.910630 0.138713 0.454732 Zn\n0.683980 0.455898 0.545268 Zn\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.692001407517473,
"density_atomic": 0.05679980628481539,
"volume": 1408.4555077327236,
"volume_molar": 10.602396652204662,
"formula_full": "Yb12 Zn68",
"formula_reduced": "Yb3Zn17",
"formula_anonymous": "A3B17",
"energy": -122.17548108,
"energy_per_atom": -1.5271935134999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.17548108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3790034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.988000Z",
"spacegroup": 204
},
{
"id": "mp-864767",
"created_at": "2022-09-04T14:43:12.715978Z",
"structure_string": "Yb2 Zn22\n1.0\n-5.336885 5.336885 3.421356\n5.336885 -5.336885 3.421356\n5.336885 5.336885 -3.421356\nYb Zn\n2 22\ndirect\n0.500000 0.500000 0.000000 Yb\n0.750000 0.250000 0.500000 Yb\n0.403457 0.077712 0.083794 Zn\n0.993918 0.319663 0.916206 Zn\n0.256082 0.672288 0.825745 Zn\n0.846543 0.430337 0.174255 Zn\n0.922288 0.596543 0.916206 Zn\n0.680337 0.006082 0.083794 Zn\n0.327712 0.743918 0.174255 Zn\n0.569663 0.153457 0.825745 Zn\n0.846543 0.672288 0.416206 Zn\n0.256082 0.430337 0.583794 Zn\n0.993918 0.077712 0.674255 Zn\n0.403457 0.319663 0.325745 Zn\n0.327712 0.153457 0.583794 Zn\n0.569663 0.743918 0.416206 Zn\n0.922288 0.006082 0.325745 Zn\n0.680337 0.596543 0.674255 Zn\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.125000 0.875000 0.750000 Zn\n0.125000 0.375000 0.250000 Zn\n0.125000 0.875000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.604529492343232,
"density_atomic": 0.06157115424507602,
"volume": 389.7929199844314,
"volume_molar": 9.780782630823595,
"formula_full": "Yb2 Zn22",
"formula_reduced": "YbZn11",
"formula_anonymous": "AB11",
"energy": -35.25720291,
"energy_per_atom": -1.4690501212499998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.25720291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.606000Z",
"spacegroup": 141
}
]
}