Ce(BrCl4)2
Alexandria ALEXAlex-ID: agm005920102 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1443_spg2
BrCl3 BrCl CeCl4
2023-09-26 05:55:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005920102).
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 agm005920102
data_agm005920102
_cell_length_a 4.17631
_cell_length_b 8.60380
_cell_length_c 11.29164
_cell_angle_alpha 99.71000
_cell_angle_beta 93.75151
_cell_angle_gamma 89.65814
_cell_volume 399.05813
_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 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.18233 0.63701 0.35581 1.00000
Br2 Br 0.81767 0.36299 0.64419 1.00000
Cl1 Cl 0.54063 0.04183 0.22599 1.00000
Cl2 Cl 0.46847 0.45568 0.79316 1.00000
Cl3 Cl 0.16395 0.26951 0.49650 1.00000
Cl4 Cl 0.99829 0.20565 0.00449 1.00000
Cl5 Cl 0.83605 0.73049 0.50350 1.00000
Cl6 Cl 0.53153 0.54432 0.20684 1.00000
Cl7 Cl 0.45937 0.95817 0.77401 1.00000
Cl8 Cl 0.00171 0.79435 0.99551 1.00000
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