TlSn2Te3
Alexandria ALEXAlex-ID: agm005644658 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_425_spg71
TlSn4Te5 Tl2SnTe3
2023-08-25 01:40:41.631980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644658).
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 agm005644658
data_agm005644658
_cell_length_a 6.32456
_cell_length_b 7.95000
_cell_length_c 9.05337
_cell_angle_alpha 106.58813
_cell_angle_beta 90.00000
_cell_angle_gamma 113.43875
_cell_volume 396.91113
_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 0.00201 0.00000 0.25000 1.00000
Tl2 Tl 0.99799 1.00000 0.75000 1.00000
Sn1 Sn 0.33338 0.66702 0.41687 1.00000
Sn2 Sn 0.33364 0.66702 0.91687 1.00000
Sn3 Sn 0.66636 0.33298 0.08313 1.00000
Sn4 Sn 0.66662 0.33298 0.58313 1.00000
Te1 Te 0.49803 1.00000 0.75000 1.00000
Te2 Te 0.50197 0.00000 0.25000 1.00000
Te3 Te 0.82255 0.64509 0.91138 1.00000
Te4 Te 0.17745 0.35491 0.58862 1.00000
Te5 Te 0.82255 0.64509 0.41138 1.00000
Te6 Te 0.17745 0.35491 0.08862 1.00000
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