Th3Te2Os
Alexandria ALEXAlex-ID: agm005758664 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
Th3Te2Os
2023-08-25 06:05:23.617660
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758664).
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 agm005758664
data_agm005758664
_cell_length_a 7.55416
_cell_length_b 7.93774
_cell_length_c 7.53416
_cell_angle_alpha 80.83937
_cell_angle_beta 59.91214
_cell_angle_gamma 71.48439
_cell_volume 370.66377
_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 0.55915 0.21069 0.36898 1.00000
Th2 Th 0.70051 0.79343 0.00000 1.00000
Th3 Th 0.44085 0.78931 0.63102 1.00000
Th4 Th 0.07187 0.78931 0.36898 1.00000
Th5 Th 0.92813 0.21069 0.63102 1.00000
Th6 Th 0.29949 0.20657 1.00000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.84630 0.50000 0.30739 1.00000
Te4 Te 0.15370 0.50000 0.69261 1.00000
Os1 Os 0.33186 0.00000 0.33627 1.00000
Os2 Os 0.66814 1.00000 0.66373 1.00000
Get direct link