LiBi4Pd
Alexandria ALEXAlex-ID: agm003750751 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1401_spg38
LiBi Bi2Pd Bi
2022-04-18 15:41:05.641941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750751).
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 agm003750751
data_agm003750751
_cell_length_a 4.67342
_cell_length_b 7.33626
_cell_length_c 4.75542
_cell_angle_alpha 74.67465
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 157.24404
_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
Li1 Li 0.50000 0.00000 0.50000 1.00000
Bi1 Bi 0.00000 0.72056 0.59924 1.00000
Bi2 Bi 0.50000 0.26461 0.90089 1.00000
Bi3 Bi 0.50000 0.73539 0.09911 1.00000
Bi4 Bi 0.00000 0.27944 0.40076 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
