Na3Bi2Pd5
Alexandria ALEXAlex-ID: agm003344707 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_98_spg15
Na2BiPd3 BiPd
2022-02-02 12:19:17.756588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344707).
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 agm003344707
data_agm003344707
_cell_length_a 5.78589
_cell_length_b 8.53406
_cell_length_c 8.53435
_cell_angle_alpha 103.63227
_cell_angle_beta 87.85381
_cell_angle_gamma 87.85469
_cell_volume 408.77858
_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
Na1 Na 0.25001 0.03416 0.96588 1.00000
Na2 Na 0.74999 0.96584 0.03412 1.00000
Na3 Na 0.41057 0.36552 0.85344 1.00000
Na4 Na 0.58943 0.63448 0.14656 1.00000
Na5 Na 0.91059 0.85343 0.36552 1.00000
Na6 Na 0.08941 0.14657 0.63448 1.00000
Bi1 Bi 0.11666 0.68419 0.97764 1.00000
Bi2 Bi 0.88334 0.31581 0.02236 1.00000
Bi3 Bi 0.61664 0.97762 0.68417 1.00000
Bi4 Bi 0.38336 0.02238 0.31583 1.00000
Pd1 Pd 0.24998 0.46642 0.53356 1.00000
Pd2 Pd 0.75002 0.53358 0.46644 1.00000
Pd3 Pd 0.48983 0.68452 0.76281 1.00000
Pd4 Pd 0.01014 0.23717 0.31546 1.00000
Pd5 Pd 0.51017 0.31548 0.23719 1.00000
Pd6 Pd 0.98986 0.76283 0.68454 1.00000
Pd7 Pd 0.12934 0.53019 0.23702 1.00000
Pd8 Pd 0.87066 0.46981 0.76298 1.00000
Pd9 Pd 0.62933 0.23705 0.53022 1.00000
Pd10 Pd 0.37067 0.76295 0.46978 1.00000
