Cs2In2Te3
Alexandria ALEXAlex-ID: agm071246858 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_3397_spg212
CsInTe2 Cs3InTe3 In
2024-08-06 23:14:50.229695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071246858).
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 agm071246858
data_agm071246858
_cell_length_a 14.66791
_cell_length_b 14.66791
_cell_length_c 14.66791
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 3155.76228
_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 0.02801 0.02801 0.02801 1.00000
Cs2 Cs 0.47199 0.97199 0.52801 1.00000
Cs3 Cs 0.97199 0.52801 0.47199 1.00000
Cs4 Cs 0.52801 0.47199 0.97199 1.00000
Cs5 Cs 0.27801 0.77801 0.72199 1.00000
Cs6 Cs 0.22199 0.22199 0.22199 1.00000
Cs7 Cs 0.77801 0.72199 0.27801 1.00000
Cs8 Cs 0.72199 0.27801 0.77801 1.00000
In1 In 0.55879 0.55879 0.55879 1.00000
In2 In 0.94121 0.44121 0.05879 1.00000
In3 In 0.44121 0.05879 0.94121 1.00000
In4 In 0.05879 0.94121 0.44121 1.00000
In5 In 0.80879 0.30879 0.19121 1.00000
In6 In 0.69121 0.69121 0.69121 1.00000
In7 In 0.30879 0.19121 0.80879 1.00000
In8 In 0.19121 0.80879 0.30879 1.00000
Te1 Te 0.12500 0.98943 0.26057 1.00000
Te2 Te 0.37500 0.01057 0.76057 1.00000
Te3 Te 0.87500 0.48943 0.23943 1.00000
Te4 Te 0.62500 0.51057 0.73943 1.00000
Te5 Te 0.26057 0.12500 0.98943 1.00000
Te6 Te 0.76057 0.37500 0.01057 1.00000
Te7 Te 0.23943 0.87500 0.48943 1.00000
Te8 Te 0.73943 0.62500 0.51057 1.00000
Te9 Te 0.98943 0.26057 0.12500 1.00000
Te10 Te 0.01057 0.76057 0.37500 1.00000
Te11 Te 0.48943 0.23943 0.87500 1.00000
Te12 Te 0.51057 0.73943 0.62500 1.00000
