SbTeOs
Alexandria ALEXAlex-ID: agm005654076 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9129_spg43
SbTeOs
2023-06-18 08:58:34.073557
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654076).
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 agm005654076
data_agm005654076
_cell_length_a 6.74151
_cell_length_b 6.74152
_cell_length_c 7.61977
_cell_angle_alpha 106.66651
_cell_angle_beta 106.66649
_cell_angle_gamma 110.58963
_cell_volume 280.04894
_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 0.13422 0.43267 0.63981 1.00000
Sb2 Sb 0.18267 0.38422 0.13981 1.00000
Sb3 Sb 0.24440 0.04286 0.86019 1.00000
Sb4 Sb 0.79286 0.49440 0.36019 1.00000
Te1 Te 0.67361 0.88844 0.13713 1.00000
Te2 Te 0.28648 0.00131 0.36287 1.00000
Te3 Te 0.63844 0.92361 0.63713 1.00000
Te4 Te 0.75131 0.53648 0.86287 1.00000
Os1 Os 0.95875 0.96215 0.49519 1.00000
Os2 Os 0.21356 0.71696 0.00481 1.00000
Os3 Os 0.46696 0.46356 0.50481 1.00000
Os4 Os 0.71215 0.20875 0.99519 1.00000
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