Be4Cu2Au5
Alexandria ALEXAlex-ID: agm005668435 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_688_spg2
BeCuAu Be4CuAu Be3Au5
2023-06-21 11:05:25.476157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668435).
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 agm005668435
data_agm005668435
_cell_length_a 4.88970
_cell_length_b 7.25780
_cell_length_c 5.57021
_cell_angle_alpha 89.01869
_cell_angle_beta 127.79684
_cell_angle_gamma 78.68335
_cell_volume 150.73922
_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 0.09587 0.21184 0.48943 1.00000
Be2 Be 0.83006 0.77381 0.88817 1.00000
Be3 Be 0.90413 0.78816 0.51057 1.00000
Be4 Be 0.16994 0.22619 0.11183 1.00000
Cu1 Cu 0.58585 0.34135 0.94299 1.00000
Cu2 Cu 0.41415 0.65865 0.05701 1.00000
Au1 Au 0.88040 0.48846 0.68269 1.00000
Au2 Au 0.11960 0.51154 0.31731 1.00000
Au3 Au 0.74676 0.11348 0.62631 1.00000
Au4 Au 0.50000 0.00000 0.00000 1.00000
Au5 Au 0.25324 0.88652 0.37369 1.00000
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