Cu2TeI6
Alexandria ALEXAlex-ID: agm005688659 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1884_spg12
CuTe2I TeI4 Cu3I4
2023-07-14 11:48:10.985769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688659).
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 agm005688659
data_agm005688659
_cell_length_a 10.41038
_cell_length_b 10.41038
_cell_length_c 7.95227
_cell_angle_alpha 80.56063
_cell_angle_beta 80.56063
_cell_angle_gamma 23.74848
_cell_volume 342.17158
_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
Cu1 Cu 0.77877 0.77877 0.90418 1.00000
Cu2 Cu 0.22123 0.22123 0.09582 1.00000
Te1 Te 0.00000 0.00000 0.50000 1.00000
I1 I 0.91106 0.91106 0.83961 1.00000
I2 I 0.76635 0.76635 0.23811 1.00000
I3 I 0.23365 0.23365 0.76189 1.00000
I4 I 0.58494 0.58494 0.63050 1.00000
I5 I 0.41506 0.41506 0.36950 1.00000
I6 I 0.08894 0.08894 0.16039 1.00000
Get direct link