AlCuAu4
Alexandria ALEXAlex-ID: agm078317563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_117_spg10
AlCuAu4
2025-01-08 23:07:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078317563).
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 agm078317563
data_agm078317563
_cell_length_a 5.33254
_cell_length_b 5.33254
_cell_length_c 4.55422
_cell_angle_alpha 86.72965
_cell_angle_beta 93.27035
_cell_angle_gamma 50.62988
_cell_volume 99.21967
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.65292 0.65292 0.00000 1.00000
Au2 Au 0.34708 0.34708 0.00000 1.00000
Au3 Au 0.84784 0.84784 0.50000 1.00000
Au4 Au 0.15216 0.15216 0.50000 1.00000
