Tb6Si2Te3S
Alexandria ALEXAlex-ID: agm004598751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tb4SiS3 Tb3SiTe2 TbSi
2022-06-29 17:23:04.050508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004598751).
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 agm004598751
data_agm004598751
_cell_length_a 4.18912
_cell_length_b 8.57778
_cell_length_c 9.55282
_cell_angle_alpha 105.00550
_cell_angle_beta 102.66564
_cell_angle_gamma 90.00000
_cell_volume 322.90492
_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
Tb1 Tb 0.33948 0.89737 0.67896 1.00000
Tb2 Tb 0.67331 0.56466 0.34662 1.00000
Tb3 Tb 0.66052 0.10263 0.32104 1.00000
Tb4 Tb 0.00951 0.23257 0.01903 1.00000
Tb5 Tb 0.99049 0.76743 0.98097 1.00000
Tb6 Tb 0.32669 0.43534 0.65338 1.00000
Si1 Si 0.83406 0.66979 0.66813 1.00000
Si2 Si 0.16594 0.33021 0.33187 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83506 0.16643 0.67012 1.00000
Te3 Te 0.16494 0.83357 0.32988 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
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