Y8Er6Zr
Alexandria ALEXAlex-ID: agm006014140 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_77_spg147
Y5Er YEr5 Zr
2023-09-01 00:21:34.138168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014140).
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 agm006014140
data_agm006014140
_cell_length_a 5.75034
_cell_length_b 9.76466
_cell_length_c 9.76466
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 474.82987
_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
Y1 Y 0.76602 0.05045 0.26943 1.00000
Y2 Y 0.76602 0.73057 0.78102 1.00000
Y3 Y 0.76602 0.21898 0.94955 1.00000
Y4 Y 0.23398 0.94955 0.73057 1.00000
Y5 Y 0.23398 0.26943 0.21898 1.00000
Y6 Y 0.23398 0.78102 0.05045 1.00000
Y7 Y 0.76371 0.33333 0.66667 1.00000
Y8 Y 0.23629 0.66667 0.33333 1.00000
Er1 Er 0.74489 0.61986 0.09326 1.00000
Er2 Er 0.74489 0.90674 0.52660 1.00000
Er3 Er 0.74489 0.47340 0.38014 1.00000
Er4 Er 0.25511 0.38014 0.90674 1.00000
Er5 Er 0.25511 0.09326 0.47340 1.00000
Er6 Er 0.25511 0.52660 0.61986 1.00000
Zr1 Zr 0.50000 0.00000 0.00000 1.00000
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