Ce3Bi2Br
Alexandria ALEXAlex-ID: agm005755532 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
Ce2Br5 Ce5Bi3Br CeBi
2023-08-07 07:41:15.842176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755532).
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 agm005755532
data_agm005755532
_cell_length_a 7.88490
_cell_length_b 7.88489
_cell_length_c 7.66419
_cell_angle_alpha 99.89653
_cell_angle_beta 99.89654
_cell_angle_gamma 119.93108
_cell_volume 387.83449
_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
Ce1 Ce 0.59443 0.92776 0.76214 1.00000
Ce2 Ce 0.07224 0.40557 0.23786 1.00000
Ce3 Ce 0.91280 0.58525 0.75614 1.00000
Ce4 Ce 0.25192 0.24613 0.75614 1.00000
Ce5 Ce 0.41475 0.08720 0.24386 1.00000
Ce6 Ce 0.75387 0.74808 0.24386 1.00000
Bi1 Bi 0.83334 0.16666 0.50000 1.00000
Bi2 Bi 0.33334 0.66666 0.00000 1.00000
Bi3 Bi 0.17031 0.82969 0.50000 1.00000
Bi4 Bi 0.49636 0.50364 0.50000 1.00000
Br1 Br 0.00104 0.99896 1.00000 1.00000
Br2 Br 0.66562 0.33438 1.00000 1.00000
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