Ba(BiPd)3
Alexandria ALEXAlex-ID: agm003549572 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_293_spg148
BiPd Ba(BiPd)2
2022-04-03 07:05:17.412563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003549572).
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 agm003549572
data_agm003549572
_cell_length_a 7.83780
_cell_length_b 7.83780
_cell_length_c 8.95705
_cell_angle_alpha 64.05416
_cell_angle_beta 64.05416
_cell_angle_gamma 60.00000
_cell_volume 411.23857
_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 0.33926 0.33926 0.98223 1.00000
Ba2 Ba 0.66074 0.66074 0.01777 1.00000
Bi1 Bi 0.38867 0.82983 0.71576 1.00000
Bi2 Bi 0.82983 0.06575 0.71576 1.00000
Bi3 Bi 0.06575 0.38867 0.71576 1.00000
Bi4 Bi 0.93425 0.61133 0.28424 1.00000
Bi5 Bi 0.17017 0.93425 0.28424 1.00000
Bi6 Bi 0.61133 0.17017 0.28424 1.00000
Pd1 Pd 0.26996 0.51635 0.37272 1.00000
Pd2 Pd 0.84097 0.26996 0.37272 1.00000
Pd3 Pd 0.51635 0.84097 0.37272 1.00000
Pd4 Pd 0.48365 0.15903 0.62728 1.00000
Pd5 Pd 0.15903 0.73004 0.62728 1.00000
Pd6 Pd 0.73004 0.48365 0.62728 1.00000
Get direct link