Be2Zn3Au4
Alexandria ALEXAlex-ID: agm005667498 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Be5Au ZnAu BeAu
2023-06-26 18:06:17.296047
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667498).
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 agm005667498
data_agm005667498
_cell_length_a 3.76963
_cell_length_b 4.67449
_cell_length_c 8.44647
_cell_angle_alpha 84.66258
_cell_angle_beta 90.00030
_cell_angle_gamma 66.22077
_cell_volume 135.49505
_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 0.37541 0.24916 0.83513 1.00000
Be2 Be 0.62459 0.75084 0.16487 1.00000
Zn1 Zn 0.35023 0.29954 0.44947 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.64977 0.70046 0.55053 1.00000
Au1 Au 0.68026 0.63947 0.86891 1.00000
Au2 Au 0.05279 0.89444 0.32832 1.00000
Au3 Au 0.94721 0.10556 0.67168 1.00000
Au4 Au 0.31974 0.36053 0.13109 1.00000
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