AcBeAu3
Alexandria ALEXAlex-ID: agm070490348 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9772_spg1
Be5Au AcAu2 AcAu3
2025-01-20 12:08:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070490348).
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 agm070490348
data_agm070490348
_cell_length_a 4.47783
_cell_length_b 4.47783
_cell_length_c 6.11991
_cell_angle_alpha 68.62279
_cell_angle_beta 111.37721
_cell_angle_gamma 90.06488
_cell_volume 105.17121
_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
Ac1 Ac 0.19863 0.80137 0.08356 1.00000
Be1 Be 0.84186 0.15814 0.36916 1.00000
Au1 Au 0.93367 0.56621 0.55452 1.00000
Au2 Au 0.43379 0.06633 0.55452 1.00000
Au3 Au 0.61914 0.38086 0.92562 1.00000
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