Th6Te3Os2S
Alexandria ALEXAlex-ID: agm004609502 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Th3Te2Os ThS Th2TeOs
2022-06-30 06:01:33.841342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004609502).
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 agm004609502
data_agm004609502
_cell_length_a 7.34816
_cell_length_b 7.34816
_cell_length_c 7.93102
_cell_angle_alpha 98.84356
_cell_angle_beta 98.84356
_cell_angle_gamma 119.91094
_cell_volume 353.26530
_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
Th1 Th 0.93055 0.57957 0.79510 1.00000
Th2 Th 0.71642 0.71642 0.20381 1.00000
Th3 Th 0.06945 0.42043 0.20490 1.00000
Th4 Th 0.57957 0.93055 0.79510 1.00000
Th5 Th 0.28358 0.28358 0.79619 1.00000
Th6 Th 0.42043 0.06945 0.20490 1.00000
Te1 Te 0.16082 0.83918 0.50000 1.00000
Te2 Te 0.83918 0.16082 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.33257 0.66743 0.00000 1.00000
Os2 Os 0.66743 0.33257 0.00000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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