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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},{"id":"mp-1209585","created_at":"2022-09-04T14:46:56.052495Z","structure_string":"Yb8 Zn22\n1.0\n0.000000 0.000000 6.886696\n-6.864334 6.864334 3.443348\n-6.864334 -6.864334 3.443348\nYb Zn\n8 22\ndirect\n0.700554 0.139843 0.860157 Yb\n0.700554 0.860157 0.139843 Yb\n0.810711 0.639843 0.639843 Yb\n0.549446 0.639843 0.360157 Yb\n0.549446 0.360157 0.639843 Yb\n0.090397 0.360157 0.360157 Yb\n0.439289 0.860157 0.860157 Yb\n0.159603 0.139843 0.139843 Yb\n0.000000 0.000000 0.000000 Zn\n0.250000 0.500000 0.500000 Zn\n0.125000 0.750000 0.250000 Zn\n0.125000 0.250000 0.750000 Zn\n0.625000 0.250000 0.250000 Zn\n0.125000 0.750000 0.750000 Zn\n0.368383 0.875392 0.586286 Zn\n0.830061 0.124608 0.413714 Zn\n0.204669 0.913714 0.375392 Zn\n0.881617 0.913714 0.624608 Zn\n0.881617 0.624608 0.913714 Zn\n0.493775 0.086286 0.624608 Zn\n0.419939 0.086286 0.375392 Zn\n0.419939 0.375392 0.086286 Zn\n0.045331 0.124608 0.586286 Zn\n0.045331 0.586286 0.124608 Zn\n0.756225 0.875392 0.413714 Zn\n0.756225 0.413714 0.875392 Zn\n0.368383 0.586286 0.875392 Zn\n0.830061 0.413714 0.124608 Zn\n0.493775 0.624608 0.086286 Zn\n0.204669 0.375392 0.913714 Zn\n","nsites":30,"nelements":2,"elements":["Yb","Zn"],"chemical_system":"Yb-Zn","density":7.223890803707893,"density_atomic":0.04622570387377433,"volume":648.9895769228121,"volume_molar":13.027688613340075,"formula_full":"Yb8 Zn22","formula_reduced":"Yb4Zn11","formula_anonymous":"A4B11","energy":-41.25903892,"energy_per_atom":-1.3753012973333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.25903892,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018842,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.707000Z","spacegroup":141}]}