Cs5Ce2Br12
Alexandria ALEXAlex-ID: agm005653544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_124_spg12
Cs2CeBr6 Cs3CeBr6
2023-06-23 03:26:20.533855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653544).
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 agm005653544
data_agm005653544
_cell_length_a 8.94341
_cell_length_b 10.22555
_cell_length_c 10.22555
_cell_angle_alpha 63.84778
_cell_angle_beta 79.53196
_cell_angle_gamma 79.53195
_cell_volume 819.94932
_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
Cs1 Cs 0.99675 0.25027 0.25027 1.00000
Cs2 Cs 0.51385 0.36568 0.36568 1.00000
Cs3 Cs 0.50000 0.00000 0.00000 1.00000
Cs4 Cs 0.48615 0.63432 0.63432 1.00000
Cs5 Cs 0.00325 0.74973 0.74973 1.00000
Ce1 Ce 0.00000 0.75218 0.24782 1.00000
Ce2 Ce 1.00000 0.24782 0.75218 1.00000
Br1 Br 0.84640 0.07341 0.07341 1.00000
Br2 Br 0.21333 0.14834 0.55396 1.00000
Br3 Br 0.21333 0.55396 0.14834 1.00000
Br4 Br 0.78348 0.10293 0.69349 1.00000
Br5 Br 0.78348 0.69349 0.10293 1.00000
Br6 Br 0.83600 0.46739 0.46739 1.00000
Br7 Br 0.16400 0.53261 0.53261 1.00000
Br8 Br 0.21652 0.89707 0.30651 1.00000
Br9 Br 0.21652 0.30651 0.89707 1.00000
Br10 Br 0.78667 0.85166 0.44604 1.00000
Br11 Br 0.78667 0.44604 0.85166 1.00000
Br12 Br 0.15360 0.92659 0.92659 1.00000
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