Cs(TeH3)2
Alexandria ALEXAlex-ID: agm005755113 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2589_spg12
CsTeH3 TeH2 H2
2023-07-07 09:43:11.561319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755113).
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 agm005755113
data_agm005755113
_cell_length_a 10.24238
_cell_length_b 5.93448
_cell_length_c 7.37960
_cell_angle_alpha 62.41820
_cell_angle_beta 57.55120
_cell_angle_gamma 30.35009
_cell_volume 191.26118
_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 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.27102 0.45795 0.50000 1.00000
Te2 Te 0.72898 0.54205 0.50000 1.00000
H1 H 0.03104 0.49416 0.93857 1.00000
H2 H 0.52520 0.50584 0.93857 1.00000
H3 H 0.50676 0.00000 0.94434 1.00000
H4 H 0.47480 0.49416 0.06143 1.00000
H5 H 0.96896 0.50584 0.06143 1.00000
H6 H 0.49324 1.00000 0.05566 1.00000
Get direct link