Th3(TlTe2)4
Alexandria ALEXAlex-ID: agm005706252 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
ThTl2Te3 ThTe2
2023-06-29 19:15:10.141049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706252).
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 agm005706252
data_agm005706252
_cell_length_a 9.28626
_cell_length_b 9.28626
_cell_length_c 10.18681
_cell_angle_alpha 62.88360
_cell_angle_beta 62.88360
_cell_angle_gamma 60.00001
_cell_volume 646.87129
_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
Th1 Th 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.36454 0.36454 0.90638 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Tl4 Tl 0.63546 0.63546 0.09362 1.00000
Te1 Te 0.23219 0.23219 0.30342 1.00000
Te2 Te 0.20896 0.74914 0.29275 1.00000
Te3 Te 0.74914 0.74914 0.29275 1.00000
Te4 Te 0.74914 0.20896 0.29275 1.00000
Te5 Te 0.76781 0.76781 0.69658 1.00000
Te6 Te 0.79104 0.25086 0.70725 1.00000
Te7 Te 0.25086 0.25086 0.70725 1.00000
Te8 Te 0.25086 0.79104 0.70725 1.00000
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