TlSe
Alexandria ALEXAlex-ID: agm003201183 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_341_spg8
Tl2Se5 Tl2Se
2021-12-03 05:20:31.058681
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201183).
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 agm003201183
data_agm003201183
_cell_length_a 7.51679
_cell_length_b 7.51679
_cell_length_c 6.72915
_cell_angle_alpha 63.31561
_cell_angle_beta 63.31561
_cell_angle_gamma 31.81219
_cell_volume 177.23054
_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
Se1 Se 0.98973 0.98973 0.90451 1.00000
Se2 Se 0.30554 0.30554 0.56849 1.00000
Se3 Se 0.62140 0.62140 0.27270 1.00000
Tl1 Tl 0.64236 0.64236 0.68473 1.00000
Tl2 Tl 0.96868 0.96868 0.35882 1.00000
Tl3 Tl 0.30563 0.30563 0.04409 1.00000
