Cs2CdBr4
Alexandria ALEXAlex-ID: agm005257461 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_9_spg62
Cs2CdBr4
2023-05-11 04:47:41.349318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257461).
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 agm005257461
data_agm005257461
_cell_length_a 10.39132
_cell_length_b 8.05160
_cell_length_c 16.59867
_cell_angle_alpha 62.14274
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1227.82000
_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 0.61884 0.63806 0.59538 1.00000
Cs2 Cs 0.38116 0.36194 0.40462 1.00000
Cs3 Cs 0.88116 0.63806 0.09538 1.00000
Cs4 Cs 0.11884 0.36194 0.90462 1.00000
Cs5 Cs 0.49517 0.04153 0.17838 1.00000
Cs6 Cs 0.50483 0.95847 0.82162 1.00000
Cs7 Cs 0.00483 0.04153 0.67838 1.00000
Cs8 Cs 0.99517 0.95847 0.32162 1.00000
Cd1 Cd 0.72047 0.33232 0.91957 1.00000
Cd2 Cd 0.27953 0.66768 0.08043 1.00000
Cd3 Cd 0.77953 0.33232 0.41957 1.00000
Cd4 Cd 0.22047 0.66768 0.58043 1.00000
Br1 Br 0.47010 0.29839 0.92629 1.00000
Br2 Br 0.52990 0.70161 0.07371 1.00000
Br3 Br 0.02990 0.29839 0.42629 1.00000
Br4 Br 0.97010 0.70161 0.57371 1.00000
Br5 Br 0.83418 0.11986 0.07678 1.00000
Br6 Br 0.16582 0.88014 0.92322 1.00000
Br7 Br 0.66582 0.11986 0.57678 1.00000
Br8 Br 0.33418 0.88014 0.42322 1.00000
Br9 Br 0.80922 0.67445 0.86807 1.00000
Br10 Br 0.19078 0.32555 0.13193 1.00000
Br11 Br 0.69078 0.67445 0.36807 1.00000
Br12 Br 0.30922 0.32555 0.63193 1.00000
Br13 Br 0.80287 0.24756 0.79252 1.00000
Br14 Br 0.19713 0.75244 0.20748 1.00000
Br15 Br 0.69713 0.24756 0.29252 1.00000
Br16 Br 0.30287 0.75244 0.70748 1.00000
