Bi8Pd6Au
Alexandria ALEXAlex-ID: agm072107947 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_61_spg2
Bi2Pd Bi2PdAu BiPd
2024-10-07 01:32:31.601747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072107947).
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 agm072107947
data_agm072107947
_cell_length_a 7.15176
_cell_length_b 7.15176
_cell_length_c 7.15176
_cell_angle_alpha 85.04884
_cell_angle_beta 85.04884
_cell_angle_gamma 85.04884
_cell_volume 361.92371
_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
Bi1 Bi 0.75921 0.75921 0.75921 1.00000
Bi2 Bi 0.24079 0.24079 0.24079 1.00000
Bi3 Bi 0.21401 0.62954 0.90076 1.00000
Bi4 Bi 0.62954 0.90076 0.21401 1.00000
Bi5 Bi 0.90076 0.21401 0.62954 1.00000
Bi6 Bi 0.78599 0.37046 0.09924 1.00000
Bi7 Bi 0.37046 0.09924 0.78599 1.00000
Bi8 Bi 0.09924 0.78599 0.37046 1.00000
Pd1 Pd 0.78138 0.57055 0.42732 1.00000
Pd2 Pd 0.57055 0.42732 0.78138 1.00000
Pd3 Pd 0.42732 0.78138 0.57055 1.00000
Pd4 Pd 0.21862 0.42945 0.57268 1.00000
Pd5 Pd 0.42945 0.57268 0.21862 1.00000
Pd6 Pd 0.57268 0.21862 0.42945 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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