TlTe4Au
Alexandria ALEXAlex-ID: agm005828331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3741_spg2
Tl2Te3 Te2Au Te
2023-07-31 13:31:44.491477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005828331).
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 agm005828331
data_agm005828331
_cell_length_a 4.92819
_cell_length_b 8.26025
_cell_length_c 9.05777
_cell_angle_alpha 80.59791
_cell_angle_beta 100.44938
_cell_angle_gamma 41.98171
_cell_volume 216.19570
_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
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.27160 0.96005 0.22573 1.00000
Te2 Te 0.72840 0.03995 0.77427 1.00000
Te3 Te 0.59888 0.47982 0.29939 1.00000
Te4 Te 0.40112 0.52018 0.70061 1.00000
Au1 Au 0.50000 0.00000 0.50000 1.00000
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