Te(S3Cl)2
Alexandria ALEXAlex-ID: agm005690810 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_73_spg2
TeS7Cl2 Te TeCl4
2023-07-09 17:16:22.064157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690810).
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 agm005690810
data_agm005690810
_cell_length_a 4.06585
_cell_length_b 8.93050
_cell_length_c 8.97141
_cell_angle_alpha 104.66007
_cell_angle_beta 89.51297
_cell_angle_gamma 92.09509
_cell_volume 314.93694
_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
Te1 Te 0.00000 0.00000 0.00000 1.00000
S1 S 0.90428 0.63166 0.36937 1.00000
S2 S 0.09572 0.36834 0.63063 1.00000
S3 S 0.90013 0.58394 0.71691 1.00000
S4 S 0.87921 0.28252 0.41679 1.00000
S5 S 0.12079 0.71748 0.58321 1.00000
S6 S 0.09987 0.41606 0.28309 1.00000
Cl1 Cl 0.48743 0.87793 0.12402 1.00000
Cl2 Cl 0.51257 0.12207 0.87598 1.00000
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