Be2ZnAu6
Alexandria ALEXAlex-ID: agm003500546 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_680_spg12
Be(ZnAu3)2 Be3Au5 BeAu3
2022-02-23 12:29:50.602931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500546).
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 agm003500546
data_agm003500546
_cell_length_a 4.32323
_cell_length_b 5.47429
_cell_length_c 6.77247
_cell_angle_alpha 82.75837
_cell_angle_beta 71.38685
_cell_angle_gamma 66.74234
_cell_volume 139.55436
_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 0.33756 0.50040 0.82448 1.00000
Be2 Be 0.66244 0.49960 0.17552 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.68356 0.78463 0.84825 1.00000
Au2 Au 0.31644 0.21537 0.15175 1.00000
Au3 Au 0.03119 0.78525 0.15238 1.00000
Au4 Au 0.34873 0.80258 0.49997 1.00000
Au5 Au 0.96881 0.21475 0.84762 1.00000
Au6 Au 0.65127 0.19742 0.50003 1.00000
Get direct link