Be4Pd2Au3
Alexandria ALEXAlex-ID: agm005636747 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Be3Au5 Be5Pd BePd
2023-06-30 19:15:23.811494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005636747).
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 agm005636747
data_agm005636747
_cell_length_a 4.04167
_cell_length_b 4.10033
_cell_length_c 8.11405
_cell_angle_alpha 88.88496
_cell_angle_beta 89.97824
_cell_angle_gamma 60.50423
_cell_volume 117.01041
_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 0.66685 0.66580 0.89662 1.00000
Be2 Be 0.00061 0.99723 0.31287 1.00000
Be3 Be 0.99939 0.00277 0.68713 1.00000
Be4 Be 0.33315 0.33420 0.10338 1.00000
Pd1 Pd 0.33477 0.33072 0.79935 1.00000
Pd2 Pd 0.66523 0.66928 0.20065 1.00000
Au1 Au 0.33388 0.33158 0.40137 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.66612 0.66842 0.59863 1.00000
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