Zr5AlSi2
Alexandria ALEXAlex-ID: agm005491756 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_206_spg71
Zr3Si2 Zr4Al3 Zr2Si
2023-03-18 08:15:32.525930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491756).
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 agm005491756
data_agm005491756
_cell_length_a 7.91506
_cell_length_b 7.91506
_cell_length_c 7.91506
_cell_angle_alpha 154.07250
_cell_angle_beta 129.03229
_cell_angle_gamma 58.05490
_cell_volume 167.39792
_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 0.50000 0.00000 0.50000 1.00000
Zr2 Zr 0.36337 0.63660 0.72677 1.00000
Zr3 Zr 0.63663 0.36340 0.27323 1.00000
Zr4 Zr 0.90983 0.63660 0.27323 1.00000
Zr5 Zr 0.09017 0.36340 0.72677 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.69905 0.19905 0.50000 1.00000
Si2 Si 0.30095 0.80095 0.50000 1.00000
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