Al6CuAu2
Alexandria ALEXAlex-ID: agm016775520 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1787_spg12
Al2Cu Al2Au
2024-12-16 04:16:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016775520).
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
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# CIF generated by HEAS from Alexandria entry agm016775520
data_agm016775520
_cell_length_a 7.31601
_cell_length_b 7.31601
_cell_length_c 7.31601
_cell_angle_alpha 146.78317
_cell_angle_beta 131.16294
_cell_angle_gamma 60.34304
_cell_volume 160.00625
_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 0.07829 0.33894 0.73935 1.00000
Al2 Al 0.40041 0.66106 0.73935 1.00000
Al3 Al 0.92171 0.66106 0.26065 1.00000
Al4 Al 0.23448 0.00000 0.23448 1.00000
Al5 Al 0.59959 0.33894 0.26065 1.00000
Al6 Al 0.76552 0.00000 0.76552 1.00000
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.33464 0.83464 0.50000 1.00000
Au2 Au 0.66536 0.16536 0.50000 1.00000
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