Tl2Se3
Alexandria ALEXAlex-ID: agm005507708 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_530_spg43
Tl2Se5 Tl2Se
2023-03-20 14:13:52.836914
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507708).
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 agm005507708
data_agm005507708
_cell_length_a 13.77901
_cell_length_b 10.21434
_cell_length_c 9.51295
_cell_angle_alpha 88.53525
_cell_angle_beta 47.82131
_cell_angle_gamma 43.64345
_cell_volume 298.42806
_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 0.34307 0.86057 0.23793 1.00000
Tl2 Tl 0.55844 0.23793 0.86057 1.00000
Tl3 Tl 0.38943 0.90693 0.69156 1.00000
Tl4 Tl 0.01207 0.69156 0.90693 1.00000
Se1 Se 0.87871 0.19364 0.39034 1.00000
Se2 Se 0.53731 0.39034 0.19364 1.00000
Se3 Se 0.05636 0.37129 0.71269 1.00000
Se4 Se 0.85966 0.71269 0.37129 1.00000
Se5 Se 0.68248 0.31752 0.31752 1.00000
Se6 Se 0.93248 0.56752 0.56752 1.00000
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