Bi4I2Br5
Alexandria ALEXAlex-ID: agm003364255 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_219_spg12
BiI3 Bi BiBr3
2022-02-05 00:05:40.470040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364255).
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 agm003364255
data_agm003364255
_cell_length_a 7.14239
_cell_length_b 8.36678
_cell_length_c 9.41439
_cell_angle_alpha 81.56050
_cell_angle_beta 67.70759
_cell_angle_gamma 64.73341
_cell_volume 470.66792
_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
Bi1 Bi 0.39380 0.91516 0.29724 1.00000
Bi2 Bi 0.60620 0.08484 0.70276 1.00000
Bi3 Bi 0.75085 0.69031 0.80799 1.00000
Bi4 Bi 0.24915 0.30969 0.19201 1.00000
I1 I 0.18545 0.99000 0.63910 1.00000
I2 I 0.81455 0.01000 0.36090 1.00000
Br1 Br 0.14601 0.23865 0.95870 1.00000
Br2 Br 0.85399 0.76135 0.04130 1.00000
Br3 Br 0.00000 0.50000 0.50000 1.00000
Br4 Br 0.65664 0.23865 0.95870 1.00000
Br5 Br 0.34336 0.76135 0.04130 1.00000
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