Ba3Bi3Pd8
Alexandria ALEXAlex-ID: agm008618072 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
BiPd3 BaPd3 Ba(BiPd)2
2024-03-07 12:58:08.594830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008618072).
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 agm008618072
data_agm008618072
_cell_length_a 8.88060
_cell_length_b 8.88060
_cell_length_c 8.88060
_cell_angle_alpha 147.79943
_cell_angle_beta 110.16238
_cell_angle_gamma 78.99645
_cell_volume 343.15845
_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
Ba1 Ba 0.50000 0.00000 0.50000 1.00000
Ba2 Ba 0.79219 0.29219 0.50000 1.00000
Ba3 Ba 0.20781 0.70781 0.50000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.23396 0.50000 0.73396 1.00000
Bi3 Bi 0.76604 0.50000 0.26604 1.00000
Pd1 Pd 0.90106 0.12517 0.77589 1.00000
Pd2 Pd 0.09894 0.87483 0.22411 1.00000
Pd3 Pd 0.34928 0.12517 0.22411 1.00000
Pd4 Pd 0.65072 0.87483 0.77589 1.00000
Pd5 Pd 0.17149 0.31974 0.85175 1.00000
Pd6 Pd 0.82851 0.68026 0.14825 1.00000
Pd7 Pd 0.46799 0.31974 0.14825 1.00000
Pd8 Pd 0.53201 0.68026 0.85175 1.00000
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