Er2Zn17
Alexandria ALEXAlex-ID: agm005228213 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17_0_spg194
Er2Zn17
2024-10-08 15:49:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228213).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005228213
data_agm005228213
_cell_length_a 8.75866
_cell_length_b 8.94332
_cell_length_c 8.94332
_cell_angle_alpha 120.00136
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 606.68014
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1 Er 0.75000 0.00001 0.99999 1.00000
Er2 Er 0.25000 0.99999 0.00001 1.00000
Er3 Er 0.25000 0.66668 0.33332 1.00000
Er4 Er 0.75000 0.33332 0.66668 1.00000
Zn1 Zn 0.59954 0.66666 0.33334 1.00000
Zn2 Zn 0.40046 0.33334 0.66666 1.00000
Zn3 Zn 0.09954 0.33334 0.66666 1.00000
Zn4 Zn 0.90046 0.66666 0.33334 1.00000
Zn5 Zn 0.50000 0.50000 0.00000 1.00000
Zn6 Zn 0.50000 0.50000 0.50000 1.00000
Zn7 Zn 0.50000 0.00000 0.50000 1.00000
Zn8 Zn 0.00000 0.50000 0.00000 1.00000
Zn9 Zn 0.00000 0.50000 0.50000 1.00000
Zn10 Zn 0.00000 0.00000 0.50000 1.00000
Zn11 Zn 0.75000 0.67085 0.03702 1.00000
Zn12 Zn 0.75000 0.36622 0.32918 1.00000
Zn13 Zn 0.75000 0.96292 0.63380 1.00000
Zn14 Zn 0.75000 0.36620 0.03708 1.00000
Zn15 Zn 0.75000 0.96298 0.32915 1.00000
Zn16 Zn 0.75000 0.67082 0.63378 1.00000
Zn17 Zn 0.25000 0.32915 0.96298 1.00000
Zn18 Zn 0.25000 0.63378 0.67082 1.00000
Zn19 Zn 0.25000 0.03708 0.36620 1.00000
Zn20 Zn 0.25000 0.63380 0.96292 1.00000
Zn21 Zn 0.25000 0.03702 0.67085 1.00000
Zn22 Zn 0.25000 0.32918 0.36622 1.00000
Zn23 Zn 0.47813 0.83855 0.67706 1.00000
Zn24 Zn 0.47816 0.83851 0.16149 1.00000
Zn25 Zn 0.47813 0.32294 0.16145 1.00000
Zn26 Zn 0.52187 0.16145 0.32294 1.00000
Zn27 Zn 0.52184 0.16149 0.83851 1.00000
Zn28 Zn 0.52187 0.67706 0.83855 1.00000
Zn29 Zn 0.97813 0.16145 0.32294 1.00000
Zn30 Zn 0.97816 0.16149 0.83851 1.00000
Zn31 Zn 0.97813 0.67706 0.83855 1.00000
Zn32 Zn 0.02187 0.83855 0.67706 1.00000
Zn33 Zn 0.02184 0.83851 0.16149 1.00000
Zn34 Zn 0.02187 0.32294 0.16145 1.00000
