CuTe5I3
Alexandria ALEXAlex-ID: agm072462902 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1225_spg8
TeI Te2I CuTe2I
2024-09-24 08:58:38.457800
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072462902).
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 agm072462902
data_agm072462902
_cell_length_a 8.05976
_cell_length_b 8.33612
_cell_length_c 8.54801
_cell_angle_alpha 109.43534
_cell_angle_beta 76.79326
_cell_angle_gamma 110.36418
_cell_volume 503.60007
_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 0.61840 0.97938 0.79717 1.00000
Te1 Te 0.16501 0.02272 0.78393 1.00000
Te2 Te 0.84491 0.81187 0.65515 1.00000
Te3 Te 0.57303 0.25351 0.02570 1.00000
Te4 Te 0.85020 0.15336 0.06377 1.00000
Te5 Te 0.37634 0.80321 0.60062 1.00000
I1 I 0.06086 0.42549 0.31001 1.00000
I2 I 0.72101 0.53031 0.83646 1.00000
I3 I 0.58803 0.95453 0.33735 1.00000
Get direct link