K(Tl3Te2)2
Alexandria ALEXAlex-ID: agm003661957 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Tl2Te KTe
2022-04-08 11:31:02.090891
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661957).
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 agm003661957
data_agm003661957
_cell_length_a 8.56933
_cell_length_b 8.56933
_cell_length_c 8.56933
_cell_angle_alpha 93.53294
_cell_angle_beta 117.98166
_cell_angle_gamma 117.98166
_cell_volume 457.59894
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.78400 0.50060 1.00000
Tl2 Tl 0.00000 0.50060 0.78400 1.00000
Tl3 Tl 0.71660 0.21600 0.21600 1.00000
Tl4 Tl 0.50000 0.00000 0.50000 1.00000
Tl5 Tl 0.28340 0.49940 0.49940 1.00000
Tl6 Tl 0.50000 0.50000 0.00000 1.00000
Te1 Te 1.00000 0.14530 0.61541 1.00000
Te2 Te 0.52989 0.38459 0.38459 1.00000
Te3 Te 1.00000 0.61541 0.14530 1.00000
Te4 Te 0.47011 0.85470 0.85470 1.00000
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