Cd5Br
Alexandria ALEXAlex-ID: agm005473636 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_286_spg8
CdBr2 Cd
2023-03-19 06:44:57.258334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005473636).
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 agm005473636
data_agm005473636
_cell_length_a 6.54783
_cell_length_b 6.54783
_cell_length_c 8.53329
_cell_angle_alpha 57.81718
_cell_angle_beta 57.81718
_cell_angle_gamma 30.35605
_cell_volume 154.18821
_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
Cd1 Cd 0.63532 0.63532 0.64653 1.00000
Cd2 Cd 0.36675 0.36675 0.36116 1.00000
Cd3 Cd 0.36363 0.36363 0.70933 1.00000
Cd4 Cd 0.08550 0.08550 0.38345 1.00000
Cd5 Cd 0.73168 0.73168 0.04425 1.00000
Br1 Br 0.98378 0.98378 0.02195 1.00000
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