Sb2Te2Cl
Alexandria ALEXAlex-ID: agm005962200 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_46_spg166
Sb16Te3 SbTeCl Sb2Te3
2023-08-03 13:33:55.234292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962200).
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 agm005962200
data_agm005962200
_cell_length_a 4.46500
_cell_length_b 4.46500
_cell_length_c 10.62197
_cell_angle_alpha 77.86717
_cell_angle_beta 77.86716
_cell_angle_gamma 59.99998
_cell_volume 177.90819
_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
Sb1 Sb 0.60755 0.60755 0.17735 1.00000
Sb2 Sb 0.39245 0.39245 0.82265 1.00000
Te1 Te 0.22619 0.22619 0.32142 1.00000
Te2 Te 0.77381 0.77381 0.67858 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
