Cd(BrO2)2
Alexandria ALEXAlex-ID: agm005257574 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1793_spg1
Cd(BrO3)2 CdBr2
2023-05-06 22:31:57.429211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257574).
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 agm005257574
data_agm005257574
_cell_length_a 3.61385
_cell_length_b 6.84491
_cell_length_c 11.38014
_cell_angle_alpha 76.25193
_cell_angle_beta 74.08284
_cell_angle_gamma 81.46981
_cell_volume 261.91138
_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 0.27595 0.60986 0.48130 1.00000
Cd2 Cd 0.75008 0.86858 0.92499 1.00000
Br1 Br 0.01871 0.58955 0.19325 1.00000
Br2 Br 0.85550 0.38527 0.74773 1.00000
Br3 Br 0.72770 0.19484 0.34711 1.00000
Br4 Br 0.42867 0.93792 0.65902 1.00000
O1 O 0.39996 0.27797 0.48190 1.00000
O2 O 0.65403 0.74759 0.56555 1.00000
O3 O 0.14940 0.79978 0.06195 1.00000
O4 O 0.37004 0.33176 0.01926 1.00000
O5 O 0.50276 0.16632 0.07244 1.00000
O6 O 0.39994 0.77231 0.81106 1.00000
O7 O 0.88885 0.68513 0.33203 1.00000
O8 O 0.07840 0.13312 0.80242 1.00000
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