Al2(CrAu)3
Alexandria ALEXAlex-ID: agm009170684 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_125_spg71
AlAu2 Cr AlAu
2024-06-24 11:54:32.736654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009170684).
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 agm009170684
data_agm009170684
_cell_length_a 8.18699
_cell_length_b 8.18699
_cell_length_c 8.18699
_cell_angle_alpha 151.11260
_cell_angle_beta 151.22576
_cell_angle_gamma 41.22791
_cell_volume 127.32704
_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 0.24990 0.24990 0.00000 1.00000
Al2 Al 0.75010 0.75010 0.00000 1.00000
Cr1 Cr 0.87994 0.37994 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Cr3 Cr 0.12006 0.62006 0.50000 1.00000
Au1 Au 0.36057 0.86057 0.50000 1.00000
Au2 Au 0.63943 0.13943 0.50000 1.00000
Au3 Au 0.50000 0.50000 0.00000 1.00000
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