CeRhBr6
Alexandria ALEXAlex-ID: agm069626850 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_97_spg5
RhBr3 CeBr3
2024-12-16 03:59:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069626850).
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
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# CIF generated by HEAS from Alexandria entry agm069626850
data_agm069626850
_cell_length_a 6.77622
_cell_length_b 7.56940
_cell_length_c 7.56459
_cell_angle_alpha 111.57254
_cell_angle_beta 107.27348
_cell_angle_gamma 107.43816
_cell_volume 305.85898
_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
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.03264 0.66471 0.79772 1.00000
Br2 Br 0.23537 0.20162 0.86681 1.00000
Br3 Br 0.76463 0.79838 0.13319 1.00000
Br4 Br 0.96736 0.33529 0.20228 1.00000
Br5 Br 0.36792 0.13353 0.33516 1.00000
Br6 Br 0.63208 0.86647 0.66484 1.00000
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