Zr4AlRe
Alexandria ALEXAlex-ID: agm003750293 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_26_spg166
Zr3Al Zr21Re25 Zr
2022-04-18 06:35:51.607935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750293).
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 agm003750293
data_agm003750293
_cell_length_a 4.63394
_cell_length_b 4.64599
_cell_length_c 7.95641
_cell_angle_alpha 72.99326
_cell_angle_beta 73.06972
_cell_angle_gamma 60.08576
_cell_volume 139.78123
_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
Zr1 Zr 0.62946 0.63010 0.11098 1.00000
Zr2 Zr 0.37054 0.36990 0.88902 1.00000
Zr3 Zr 0.12038 0.11860 0.64065 1.00000
Zr4 Zr 0.87962 0.88140 0.35935 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
