Th3Ge2Rh7
Alexandria ALEXAlex-ID: agm024493813 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Th3Rh5 Th2Ge2Rh5 Th4GeRh12
2025-05-16 09:12:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024493813).
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
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# CIF generated by HEAS from Alexandria entry agm024493813
data_agm024493813
_cell_length_a 8.83278
_cell_length_b 8.83278
_cell_length_c 8.83278
_cell_angle_alpha 36.54333
_cell_angle_beta 36.54333
_cell_angle_gamma 36.54333
_cell_volume 218.73331
_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 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.14065 0.14065 0.14065 1.00000
Th3 Th 0.85935 0.85935 0.85935 1.00000
Ge1 Ge 0.33339 0.33339 0.33339 1.00000
Ge2 Ge 0.66661 0.66661 0.66661 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.07858 0.57796 0.57796 1.00000
Rh3 Rh 0.57796 0.57796 0.07858 1.00000
Rh4 Rh 0.57796 0.07858 0.57796 1.00000
Rh5 Rh 0.92142 0.42204 0.42204 1.00000
Rh6 Rh 0.42204 0.92142 0.42204 1.00000
Rh7 Rh 0.42204 0.42204 0.92142 1.00000
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