Tl8Te3Se2
Alexandria ALEXAlex-ID: agm005640090 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_606_spg10
Tl2Te3 Tl2Te Tl2Se
2023-06-16 10:28:46.371145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640090).
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 agm005640090
data_agm005640090
_cell_length_a 4.59794
_cell_length_b 13.29159
_cell_length_c 11.04550
_cell_angle_alpha 133.90556
_cell_angle_beta 89.99723
_cell_angle_gamma 90.01441
_cell_volume 486.35091
_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 0.00043 0.65776 0.24565 1.00000
Tl2 Tl 0.99957 0.34224 0.75435 1.00000
Tl3 Tl 0.00010 0.21887 0.27764 1.00000
Tl4 Tl 0.99990 0.78113 0.72236 1.00000
Tl5 Tl 0.49971 0.56007 0.69734 1.00000
Tl6 Tl 0.50012 0.07928 0.77844 1.00000
Tl7 Tl 0.49988 0.92072 0.22156 1.00000
Tl8 Tl 0.50029 0.43993 0.30266 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.00025 0.33229 0.03230 1.00000
Te3 Te 0.99975 0.66771 0.96770 1.00000
Se1 Se 0.49954 0.26294 0.53845 1.00000
Se2 Se 0.50046 0.73706 0.46155 1.00000
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