Tl3SnTe2
Alexandria ALEXAlex-ID: agm005692822 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1644_spg12
SnTe Sn Tl2Te
2023-08-25 04:30:33.995243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692822).
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 agm005692822
data_agm005692822
_cell_length_a 4.35925
_cell_length_b 9.13676
_cell_length_c 11.96826
_cell_angle_alpha 70.08027
_cell_angle_beta 79.50689
_cell_angle_gamma 76.19869
_cell_volume 432.56737
_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 0.07772 0.05770 0.78687 1.00000
Tl2 Tl 0.92228 0.94230 0.21313 1.00000
Tl3 Tl 0.69565 0.71799 0.89070 1.00000
Tl4 Tl 0.30435 0.28201 0.10930 1.00000
Tl5 Tl 0.79065 0.84673 0.57198 1.00000
Tl6 Tl 0.20935 0.15327 0.42802 1.00000
Sn1 Sn 0.38477 0.52999 0.70048 1.00000
Sn2 Sn 0.61523 0.47001 0.29952 1.00000
Te1 Te 0.87564 0.35621 0.89252 1.00000
Te2 Te 0.12436 0.64379 0.10748 1.00000
Te3 Te 0.56841 0.26640 0.59677 1.00000
Te4 Te 0.43159 0.73360 0.40323 1.00000
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