Al2(CuAu)5
Alexandria ALEXAlex-ID: agm005651603 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
AlCuAu4 Al2CuAu4 Cu
2023-06-18 20:42:18.190601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651603).
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 agm005651603
data_agm005651603
_cell_length_a 3.80286
_cell_length_b 6.20206
_cell_length_c 8.47435
_cell_angle_alpha 73.79340
_cell_angle_beta 77.03387
_cell_angle_gamma 72.14671
_cell_volume 180.56869
_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 0.91693 0.40489 0.76125 1.00000
Al2 Al 0.08307 0.59511 0.23875 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.33382 0.33271 0.99965 1.00000
Cu3 Cu 0.42155 0.91542 0.24148 1.00000
Cu4 Cu 0.57845 0.08458 0.75852 1.00000
Cu5 Cu 0.66618 0.66729 0.00035 1.00000
Au1 Au 0.84978 0.82179 0.47866 1.00000
Au2 Au 0.26357 0.71683 0.75603 1.00000
Au3 Au 0.73643 0.28317 0.24397 1.00000
Au4 Au 0.15022 0.17821 0.52134 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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