Te5S3F
Alexandria ALEXAlex-ID: agm072280263 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1102_spg8
Te TeS2 TeF4
2024-09-24 10:33:12.436686
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072280263).
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 agm072280263
data_agm072280263
_cell_length_a 5.09669
_cell_length_b 7.86436
_cell_length_c 10.03584
_cell_angle_alpha 118.86401
_cell_angle_beta 100.10623
_cell_angle_gamma 104.65727
_cell_volume 319.10143
_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 0.96996 0.71458 0.42100 1.00000
Te2 Te 0.13764 0.41460 0.05871 1.00000
Te3 Te 0.74714 0.72681 0.90692 1.00000
Te4 Te 0.35340 0.84933 0.18814 1.00000
Te5 Te 0.51965 0.32691 0.88357 1.00000
S1 S 0.67856 0.46029 0.46915 1.00000
S2 S 0.71271 0.93628 0.44927 1.00000
S3 S 0.93308 0.54180 0.69022 1.00000
F1 F 0.94785 0.02941 0.93302 1.00000
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