BeAl2InAu5
Alexandria ALEXAlex-ID: agm005178564 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_208_spg71
AlAu AlAu2 BeAu InAu
2023-01-21 04:06:22.674139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178564).
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 agm005178564
data_agm005178564
_cell_length_a 4.48210
_cell_length_b 5.63382
_cell_length_c 7.75476
_cell_angle_alpha 111.29989
_cell_angle_beta 106.79751
_cell_angle_gamma 90.00000
_cell_volume 173.44369
_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
Be1 Be 0.50000 0.00000 0.00000 1.00000
Al1 Al 0.19716 0.19716 0.39433 1.00000
Al2 Al 0.80284 0.80284 0.60567 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
Au1 Au 0.64443 0.89301 0.28885 1.00000
Au2 Au 0.35557 0.10699 0.71115 1.00000
Au3 Au 0.35557 0.60415 0.71115 1.00000
Au4 Au 0.64443 0.39585 0.28885 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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