Th2Ge3Rh5
Alexandria ALEXAlex-ID: agm003345682 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
Th4Ge9Rh13 ThGeRh2
2022-01-30 16:25:59.228368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345682).
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 agm003345682
data_agm003345682
_cell_length_a 5.88903
_cell_length_b 8.43672
_cell_length_c 8.43672
_cell_angle_alpha 84.56637
_cell_angle_beta 69.57311
_cell_angle_gamma 69.57311
_cell_volume 367.93699
_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 0.13241 0.59324 0.14195 1.00000
Th2 Th 0.63241 0.14195 0.59324 1.00000
Th3 Th 0.86759 0.40676 0.85805 1.00000
Th4 Th 0.36759 0.85805 0.40676 1.00000
Ge1 Ge 0.36038 0.52921 0.75004 1.00000
Ge2 Ge 0.86038 0.75004 0.52921 1.00000
Ge3 Ge 0.63962 0.47079 0.24996 1.00000
Ge4 Ge 0.13962 0.24996 0.47079 1.00000
Ge5 Ge 0.25000 0.00000 0.00000 1.00000
Ge6 Ge 0.75000 0.00000 0.00000 1.00000
Rh1 Rh 0.39781 0.28060 0.92377 1.00000
Rh2 Rh 0.89781 0.92377 0.28060 1.00000
Rh3 Rh 0.60219 0.71940 0.07623 1.00000
Rh4 Rh 0.10219 0.07623 0.71940 1.00000
Rh5 Rh 0.47479 0.77521 0.77521 1.00000
Rh6 Rh 0.52521 0.22479 0.22479 1.00000
Rh7 Rh 0.75000 0.50000 0.50000 1.00000
Rh8 Rh 0.25000 0.50000 0.50000 1.00000
Rh9 Rh 0.02521 0.22479 0.22479 1.00000
Rh10 Rh 0.97479 0.77521 0.77521 1.00000
