CsTcAuI6
Alexandria ALEXAlex-ID: agm005099660 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_606_spg1
Cs2TcI6 TcI4 AuI
2022-12-22 19:27:07.357155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099660).
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 agm005099660
data_agm005099660
_cell_length_a 8.45575
_cell_length_b 11.39135
_cell_length_c 8.09157
_cell_angle_alpha 120.27871
_cell_angle_beta 121.16949
_cell_angle_gamma 42.41698
_cell_volume 439.64567
_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 0.90591 0.05761 0.13925 1.00000
Tc1 Tc 0.36986 0.30781 0.48583 1.00000
Au1 Au 0.61707 0.80500 0.46771 1.00000
I1 I 0.87173 0.47714 0.27757 1.00000
I2 I 0.34938 0.13839 0.64136 1.00000
I3 I 0.84790 0.11584 0.65667 1.00000
I4 I 0.23577 0.55921 0.81871 1.00000
I5 I 0.35495 0.49221 0.36017 1.00000
I6 I 0.44718 0.04685 0.15264 1.00000
Get direct link