TlTeAu
Alexandria ALEXAlex-ID: agm074383340 · Space group: P3_1 (#144)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_34_spg187
TlTeAu
2025-03-02 05:10:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074383340).
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
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# CIF generated by HEAS from Alexandria entry agm074383340
data_agm074383340
_cell_length_a 4.74861
_cell_length_b 4.74922
_cell_length_c 15.40163
_cell_angle_alpha 89.62657
_cell_angle_beta 89.62549
_cell_angle_gamma 59.95842
_cell_volume 300.67071
_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 0.33374 0.00628 0.68907 1.00000
Tl2 Tl 0.65389 0.33277 0.02255 1.00000
Tl3 Tl 0.00879 0.65756 0.35605 1.00000
Te1 Te 0.98991 0.66839 0.87858 1.00000
Te2 Te 0.34347 0.99281 0.21216 1.00000
Te3 Te 0.66885 0.34066 0.54529 1.00000
Au1 Au 0.67732 0.32566 0.22945 1.00000
Au2 Au 0.00171 0.67446 0.56270 1.00000
Au3 Au 0.32230 0.00141 0.89577 1.00000
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