Al(TeS3)2
Alexandria ALEXAlex-ID: agm005689948 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1739_spg12
TeS2 Te3S13 Al2S3
2023-07-06 10:48:00.329151
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689948).
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 agm005689948
data_agm005689948
_cell_length_a 3.62205
_cell_length_b 7.05327
_cell_length_c 11.36218
_cell_angle_alpha 121.52947
_cell_angle_beta 90.00000
_cell_angle_gamma 104.87814
_cell_volume 235.92800
_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
Al1 Al 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.66515 0.33030 0.81850 1.00000
Te2 Te 0.33485 0.66970 0.18150 1.00000
S1 S 0.99664 0.99327 0.70946 1.00000
S2 S 0.67120 0.34240 0.08106 1.00000
S3 S 0.32880 0.65760 0.91894 1.00000
S4 S 0.64745 0.29489 0.58948 1.00000
S5 S 0.35255 0.70511 0.41052 1.00000
S6 S 0.00336 0.00673 0.29054 1.00000
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