Th3Sb2Te
Alexandria ALEXAlex-ID: agm032425486 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Th6SbTe5 ThSb
2025-04-13 17:23:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032425486).
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 agm032425486
data_agm032425486
_cell_length_a 7.76917
_cell_length_b 7.76917
_cell_length_c 7.76917
_cell_angle_alpha 146.25582
_cell_angle_beta 131.73029
_cell_angle_gamma 60.18831
_cell_volume 192.59968
_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 0.83092 0.33092 0.50000 1.00000
Th2 Th 0.16908 0.66908 0.50000 1.00000
Th3 Th 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.33395 0.33395 0.00000 1.00000
Sb2 Sb 0.66605 0.66605 0.00000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
