Th3Rh8
Alexandria ALEXAlex-ID: agm005536622 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_109_spg2
ThRh2 ThRh3
2023-05-28 10:19:26.342655
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536622).
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 agm005536622
data_agm005536622
_cell_length_a 7.40942
_cell_length_b 5.33244
_cell_length_c 6.32845
_cell_angle_alpha 85.66779
_cell_angle_beta 110.00225
_cell_angle_gamma 116.74824
_cell_volume 208.89657
_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 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.50000 0.50000 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.16623 0.47949 0.15848 1.00000
Rh2 Rh 0.27357 0.91056 0.90707 1.00000
Rh3 Rh 0.05412 0.91022 0.20815 1.00000
Rh4 Rh 0.32169 0.31384 0.56612 1.00000
Rh5 Rh 0.67831 0.68616 0.43388 1.00000
Rh6 Rh 0.94588 0.08978 0.79185 1.00000
Rh7 Rh 0.72643 0.08944 0.09293 1.00000
Rh8 Rh 0.83377 0.52051 0.84152 1.00000
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