Th3Te2Rh
Alexandria ALEXAlex-ID: agm005758610 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
Th2TeRh ThTe
2023-08-24 15:14:23.340368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758610).
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 agm005758610
data_agm005758610
_cell_length_a 7.52850
_cell_length_b 7.52851
_cell_length_c 7.83882
_cell_angle_alpha 99.30291
_cell_angle_beta 99.30279
_cell_angle_gamma 119.75518
_cell_volume 365.15526
_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 0.62716 0.96049 0.79038 1.00000
Th2 Th 0.03950 0.37284 0.20962 1.00000
Th3 Th 0.89611 0.59459 0.78522 1.00000
Th4 Th 0.26125 0.22944 0.78522 1.00000
Th5 Th 0.40541 0.10389 0.21478 1.00000
Th6 Th 0.77056 0.73875 0.21478 1.00000
Te1 Te 0.83334 0.16666 0.50000 1.00000
Te2 Te 0.33333 0.66666 0.00000 1.00000
Te3 Te 0.18003 0.81997 0.50000 1.00000
Te4 Te 0.48664 0.51336 0.50000 1.00000
Rh1 Rh 0.00113 0.99887 1.00000 1.00000
Rh2 Rh 0.66553 0.33447 0.00000 1.00000
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