Ce2Br3Cl
Alexandria ALEXAlex-ID: agm005688165 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
Ce2Cl5 Ce2Br5 Ce
2023-08-17 09:33:14.090619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688165).
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 agm005688165
data_agm005688165
_cell_length_a 4.01827
_cell_length_b 9.51787
_cell_length_c 11.55996
_cell_angle_alpha 91.90182
_cell_angle_beta 79.99110
_cell_angle_gamma 77.81371
_cell_volume 424.45307
_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 0.86418 0.38133 0.89032 1.00000
Ce2 Ce 0.13582 0.61867 0.10968 1.00000
Ce3 Ce 0.63777 0.11155 0.61290 1.00000
Ce4 Ce 0.36223 0.88845 0.38710 1.00000
Br1 Br 0.06539 0.06326 0.80596 1.00000
Br2 Br 0.93461 0.93674 0.19404 1.00000
Br3 Br 0.68283 0.70375 0.93059 1.00000
Br4 Br 0.31717 0.29625 0.06941 1.00000
Br5 Br 0.82488 0.78943 0.56081 1.00000
Br6 Br 0.17512 0.21057 0.43919 1.00000
Cl1 Cl 0.44046 0.40746 0.71163 1.00000
Cl2 Cl 0.55954 0.59254 0.28837 1.00000
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