Zr5Au
Alexandria ALEXAlex-ID: agm003196153 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_2_spg8
Zr3Au Zr
2021-12-03 06:05:18.981484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003196153).
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 agm003196153
data_agm003196153
_cell_length_a 3.21397
_cell_length_b 5.90363
_cell_length_c 7.61353
_cell_angle_alpha 74.39756
_cell_angle_beta 90.00000
_cell_angle_gamma 74.20461
_cell_volume 133.46433
_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
Au1 Au 0.01062 0.97876 0.00009 1.00000
Zr1 Zr 0.60372 0.79255 0.74463 1.00000
Zr2 Zr 0.31500 0.36999 0.66000 1.00000
Zr3 Zr 0.94200 0.11601 0.40224 1.00000
Zr4 Zr 0.65488 0.69024 0.30440 1.00000
Zr5 Zr 0.30711 0.38578 0.05530 1.00000
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