Cs3TeBr
Alexandria ALEXAlex-ID: agm005753344 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4865_spg74
Cs2Te CsBr
2023-07-09 11:38:44.158189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753344).
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 agm005753344
data_agm005753344
_cell_length_a 13.71946
_cell_length_b 13.71946
_cell_length_c 13.71946
_cell_angle_alpha 153.52410
_cell_angle_beta 97.50161
_cell_angle_gamma 88.52871
_cell_volume 1116.85036
_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 0.06344 0.68389 0.37956 1.00000
Cs2 Cs 0.19567 0.31611 0.87956 1.00000
Cs3 Cs 0.80433 0.68389 0.12044 1.00000
Cs4 Cs 0.93656 0.31611 0.62044 1.00000
Cs5 Cs 0.43936 0.32710 0.11226 1.00000
Cs6 Cs 0.28516 0.67290 0.61226 1.00000
Cs7 Cs 0.71484 0.32710 0.38774 1.00000
Cs8 Cs 0.56064 0.67290 0.88774 1.00000
Cs9 Cs 0.12159 0.98974 0.13185 1.00000
Cs10 Cs 0.64212 0.01026 0.63185 1.00000
Cs11 Cs 0.35788 0.98974 0.36815 1.00000
Cs12 Cs 0.87841 0.01026 0.86815 1.00000
Te1 Te 0.15842 0.14836 0.01007 1.00000
Te2 Te 0.36171 0.85164 0.51007 1.00000
Te3 Te 0.63829 0.14836 0.48993 1.00000
Te4 Te 0.84158 0.85164 0.98993 1.00000
Br1 Br 0.27879 0.52879 0.75000 1.00000
Br2 Br 0.91686 0.16686 0.75000 1.00000
Br3 Br 0.72121 0.47121 0.25000 1.00000
Br4 Br 0.08314 0.83314 0.25000 1.00000
