Na3(BiPd)4
Alexandria ALEXAlex-ID: agm005708965 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
NaBiPd BiPd
2023-06-29 21:01:25.965050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708965).
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 agm005708965
data_agm005708965
_cell_length_a 7.28168
_cell_length_b 7.28168
_cell_length_c 7.28168
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 297.21656
_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 0.50000 0.50000 0.00000 1.00000
Na2 Na 0.50000 0.00000 0.50000 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
Bi1 Bi 1.00000 0.61835 1.00000 1.00000
Bi2 Bi 0.61835 0.00000 0.00000 1.00000
Bi3 Bi 0.00000 0.00000 0.61835 1.00000
Bi4 Bi 0.38165 0.38165 0.38165 1.00000
Pd1 Pd 0.00000 0.25544 0.00000 1.00000
Pd2 Pd 1.00000 1.00000 0.25544 1.00000
Pd3 Pd 0.25544 1.00000 1.00000 1.00000
Pd4 Pd 0.74456 0.74456 0.74456 1.00000
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