Cs4TeS
Alexandria ALEXAlex-ID: agm014869313 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1187_spg166
Cs2S Cs2Te
2025-04-01 22:03:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014869313).
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 agm014869313
data_agm014869313
_cell_length_a 10.55105
_cell_length_b 10.55105
_cell_length_c 10.55105
_cell_angle_alpha 33.59412
_cell_angle_beta 33.59412
_cell_angle_gamma 33.59412
_cell_volume 320.32256
_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 0.36897 0.36897 0.36897 1.00000
Cs2 Cs 0.63103 0.63103 0.63103 1.00000
Cs3 Cs 0.88182 0.88182 0.88182 1.00000
Cs4 Cs 0.11818 0.11818 0.11818 1.00000
Te1 Te 0.50000 0.50000 0.50000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
