La3Bi2Br
Alexandria ALEXAlex-ID: agm005642279 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
La2Br5 La5Bi3Br LaBi
2023-08-07 06:39:21.611273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642279).
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 agm005642279
data_agm005642279
_cell_length_a 7.97726
_cell_length_b 7.97726
_cell_length_c 14.62672
_cell_angle_alpha 100.41531
_cell_angle_beta 100.41531
_cell_angle_gamma 109.69748
_cell_volume 832.00785
_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
La1 La 0.16757 0.66622 0.83380 1.00000
La2 La 0.66624 0.16759 0.83380 1.00000
La3 La 0.08243 0.08378 0.66620 1.00000
La4 La 0.58376 0.58241 0.66620 1.00000
La5 La 0.00011 0.50011 0.50000 1.00000
La6 La 0.49989 0.99989 0.50000 1.00000
La7 La 0.41759 0.41624 0.33380 1.00000
La8 La 0.91622 0.91757 0.33380 1.00000
La9 La 0.83241 0.33376 0.16620 1.00000
La10 La 0.33378 0.83243 0.16620 1.00000
La11 La 0.24989 0.24989 0.00000 1.00000
La12 La 0.75011 0.75011 1.00000 1.00000
Bi1 Bi 0.99972 0.49972 0.99945 1.00000
Bi2 Bi 0.41672 0.41672 0.83344 1.00000
Bi3 Bi 0.83328 0.33328 0.66656 1.00000
Bi4 Bi 0.25028 0.25028 0.50055 1.00000
Bi5 Bi 0.74972 0.74972 0.49945 1.00000
Bi6 Bi 0.66672 0.16672 0.33344 1.00000
Bi7 Bi 0.58328 0.58328 0.16656 1.00000
Bi8 Bi 0.50028 0.00028 0.00055 1.00000
Br1 Br 0.91656 0.91656 0.83312 1.00000
Br2 Br 0.33344 0.83344 0.66688 1.00000
Br3 Br 0.16656 0.66656 0.33312 1.00000
Br4 Br 0.08344 0.08344 0.16688 1.00000
