Ba2Ag3Bi5
Alexandria ALEXAlex-ID: agm003346321 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_62_spg72
BaBi2 Ba(AgBi)2 Bi
2022-01-30 08:16:06.522477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003346321).
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 agm003346321
data_agm003346321
_cell_length_a 7.19176
_cell_length_b 10.36734
_cell_length_c 10.36734
_cell_angle_alpha 68.20581
_cell_angle_beta 69.70543
_cell_angle_gamma 69.70543
_cell_volume 651.73050
_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 0.12619 0.64385 0.10376 1.00000
Ba2 Ba 0.62619 0.10376 0.64385 1.00000
Ba3 Ba 0.87381 0.35615 0.89624 1.00000
Ba4 Ba 0.37381 0.89624 0.35615 1.00000
Ag1 Ag 0.38697 0.47459 0.75147 1.00000
Ag2 Ag 0.88697 0.75147 0.47459 1.00000
Ag3 Ag 0.61303 0.52541 0.24853 1.00000
Ag4 Ag 0.11303 0.24853 0.52541 1.00000
Ag5 Ag 0.25000 0.00000 0.00000 1.00000
Ag6 Ag 0.75000 0.00000 0.00000 1.00000
Bi1 Bi 0.38245 0.23648 0.99861 1.00000
Bi2 Bi 0.88245 0.99861 0.23648 1.00000
Bi3 Bi 0.61755 0.76352 0.00139 1.00000
Bi4 Bi 0.11755 0.00139 0.76352 1.00000
Bi5 Bi 0.52494 0.72506 0.72506 1.00000
Bi6 Bi 0.47506 0.27494 0.27494 1.00000
Bi7 Bi 0.75000 0.50000 0.50000 1.00000
Bi8 Bi 0.25000 0.50000 0.50000 1.00000
Bi9 Bi 0.97506 0.27494 0.27494 1.00000
Bi10 Bi 0.02494 0.72506 0.72506 1.00000
