Cs10Te4S
Alexandria ALEXAlex-ID: agm005999522 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Cs2S Cs2Te
2023-08-08 17:09:35.527503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999522).
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 agm005999522
data_agm005999522
_cell_length_a 8.85306
_cell_length_b 10.82945
_cell_length_c 10.82945
_cell_angle_alpha 80.38214
_cell_angle_beta 65.87370
_cell_angle_gamma 65.87369
_cell_volume 864.79103
_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 0.25000 0.50000 0.50000 1.00000
Cs2 Cs 0.66529 0.28753 0.90441 1.00000
Cs3 Cs 0.04717 0.09559 0.28753 1.00000
Cs4 Cs 0.43030 0.90441 0.71247 1.00000
Cs5 Cs 0.85724 0.71247 0.09559 1.00000
Cs6 Cs 0.33471 0.71247 0.09559 1.00000
Cs7 Cs 0.75000 0.50000 0.50000 1.00000
Cs8 Cs 0.14276 0.28753 0.90441 1.00000
Cs9 Cs 0.56970 0.09559 0.28753 1.00000
Cs10 Cs 0.95283 0.90441 0.71247 1.00000
Te1 Te 0.39884 0.80420 0.39812 1.00000
Te2 Te 0.79696 0.60188 0.80420 1.00000
Te3 Te 0.20304 0.39812 0.19580 1.00000
Te4 Te 0.60116 0.19580 0.60188 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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