Te6Ir3I2
Alexandria ALEXAlex-ID: agm040374192 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_72_spg155
TeI4 IrI3 Te2Ir
2024-12-06 09:55:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040374192).
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 agm040374192
data_agm040374192
_cell_length_a 7.05520
_cell_length_b 7.05520
_cell_length_c 8.83158
_cell_angle_alpha 97.80586
_cell_angle_beta 82.19414
_cell_angle_gamma 60.53029
_cell_volume 368.56415
_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
Te1 Te 0.71376 0.95384 0.85398 1.00000
Te2 Te 0.38590 0.61410 0.84024 1.00000
Te3 Te 0.04616 0.28624 0.85398 1.00000
Te4 Te 0.61410 0.38590 0.15976 1.00000
Te5 Te 0.28624 0.04616 0.14602 1.00000
Te6 Te 0.95384 0.71376 0.14602 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.66351 0.66351 0.00000 1.00000
Ir3 Ir 0.33649 0.33649 0.00000 1.00000
I1 I 0.83456 0.83456 0.50000 1.00000
I2 I 0.16544 0.16544 0.50000 1.00000
Get direct link