TeS4Cl
Alexandria ALEXAlex-ID: agm005752440 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3542_spg2
TeS7Cl2 Te TeS2
2023-07-31 20:15:06.742160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752440).
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 agm005752440
data_agm005752440
_cell_length_a 9.13433
_cell_length_b 25.72186
_cell_length_c 13.60977
_cell_angle_alpha 21.65224
_cell_angle_beta 32.69654
_cell_angle_gamma 22.14387
_cell_volume 440.39995
_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 0.17336 0.82822 0.11275 1.00000
Te2 Te 0.82664 0.17178 0.88725 1.00000
S1 S 0.62894 0.39282 0.47186 1.00000
S2 S 0.73780 0.55558 0.16777 1.00000
S3 S 0.33170 0.78757 0.62000 1.00000
S4 S 0.02043 0.82213 0.83499 1.00000
S5 S 0.37106 0.60718 0.52814 1.00000
S6 S 0.66830 0.21243 0.38000 1.00000
S7 S 0.26220 0.44442 0.83223 1.00000
S8 S 0.97957 0.17787 0.16501 1.00000
Cl1 Cl 0.92156 0.15105 0.48830 1.00000
Cl2 Cl 0.07844 0.84895 0.51170 1.00000
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