Bi8Pd4I
Alexandria ALEXAlex-ID: agm097828659 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_787_spg8
Bi2Pd BiPd BiI3
2025-06-18 01:28:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097828659).
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 agm097828659
data_agm097828659
_cell_length_a 3.48285
_cell_length_b 10.78716
_cell_length_c 10.88777
_cell_angle_alpha 67.54479
_cell_angle_beta 90.20585
_cell_angle_gamma 80.95711
_cell_volume 372.43212
_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 0.65904 0.37979 0.04484 1.00000
Bi2 Bi 0.51209 0.66802 0.32828 1.00000
Bi3 Bi 0.49389 0.70819 0.62179 1.00000
Bi4 Bi 0.34215 0.01846 0.70824 1.00000
Bi5 Bi 0.28771 0.11656 0.32312 1.00000
Bi6 Bi 0.67040 0.34901 0.42950 1.00000
Bi7 Bi 0.68819 0.31700 0.75715 1.00000
Bi8 Bi 0.51356 0.67585 0.01921 1.00000
Pd1 Pd 0.95733 0.78625 0.80147 1.00000
Pd2 Pd 0.09882 0.49968 0.81984 1.00000
Pd3 Pd 0.10074 0.49384 0.55006 1.00000
Pd4 Pd 0.86452 0.96564 0.52493 1.00000
I1 I 0.31156 0.02171 0.07156 1.00000
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