Cs3K3SrBr8
Alexandria ALEXAlex-ID: agm044220680 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Cs4SrBr6 CsSrBr3 KBr
2025-02-02 06:33:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044220680).
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 agm044220680
data_agm044220680
_cell_length_a 9.73438
_cell_length_b 9.73438
_cell_length_c 9.72992
_cell_angle_alpha 62.30301
_cell_angle_beta 117.69699
_cell_angle_gamma 117.70583
_cell_volume 685.41222
_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 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.00000 0.50000 0.50000 1.00000
Cs3 Cs 0.50000 0.00000 0.50000 1.00000
K1 K 0.00000 0.00000 0.50000 1.00000
K2 K 0.50000 0.00000 0.00000 1.00000
K3 K 0.00000 0.50000 0.00000 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.24078 0.75922 0.75947 1.00000
Br2 Br 0.75922 0.24078 0.24053 1.00000
Br3 Br 0.77914 0.22086 0.79487 1.00000
Br4 Br 0.22086 0.77914 0.20513 1.00000
Br5 Br 0.20517 0.22085 0.22100 1.00000
Br6 Br 0.79483 0.77915 0.77900 1.00000
Br7 Br 0.77915 0.79483 0.22100 1.00000
Br8 Br 0.22085 0.20517 0.77900 1.00000
Get direct link