Th2Te5H2
Alexandria ALEXAlex-ID: agm007250185 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1764_spg9
ThTeH2 TeH2 ThTe3
2024-03-10 19:40:14.117370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007250185).
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 agm007250185
data_agm007250185
_cell_length_a 9.27366
_cell_length_b 9.27366
_cell_length_c 7.45020
_cell_angle_alpha 88.91753
_cell_angle_beta 88.91753
_cell_angle_gamma 60.10296
_cell_volume 555.32485
_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 0.65290 0.95326 0.02241 1.00000
Th2 Th 0.95326 0.65290 0.52241 1.00000
Th3 Th 0.16824 0.96965 0.85015 1.00000
Th4 Th 0.96965 0.16824 0.35015 1.00000
Te1 Te 0.39138 0.11736 0.70014 1.00000
Te2 Te 0.58945 0.76564 0.70350 1.00000
Te3 Te 0.11736 0.39138 0.20014 1.00000
Te4 Te 0.76564 0.58945 0.20350 1.00000
Te5 Te 0.83489 0.01307 0.68568 1.00000
Te6 Te 0.36669 0.93299 0.21326 1.00000
Te7 Te 0.01307 0.83489 0.18568 1.00000
Te8 Te 0.93299 0.36669 0.71326 1.00000
Te9 Te 0.57704 0.29188 0.21872 1.00000
Te10 Te 0.29188 0.57704 0.71872 1.00000
H1 H 0.53003 0.19620 0.38848 1.00000
H2 H 0.14767 0.00191 0.55359 1.00000
H3 H 0.19620 0.53003 0.88848 1.00000
H4 H 0.00191 0.14767 0.05359 1.00000
Get direct link