ThCd5Rh6
Alexandria ALEXAlex-ID: agm014604286 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_91_spg71
Cd2Rh ThRh3 Rh
2024-09-25 03:03:34.191952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014604286).
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 agm014604286
data_agm014604286
_cell_length_a 7.99941
_cell_length_b 7.99941
_cell_length_c 7.99941
_cell_angle_alpha 146.36819
_cell_angle_beta 130.93204
_cell_angle_gamma 60.80540
_cell_volume 212.14053
_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
Cd1 Cd 0.17192 0.67192 0.50000 1.00000
Cd2 Cd 0.33154 0.33154 0.00000 1.00000
Cd3 Cd 0.50000 0.00000 0.50000 1.00000
Cd4 Cd 0.66846 0.66846 0.00000 1.00000
Cd5 Cd 0.82808 0.32808 0.50000 1.00000
Rh1 Rh 0.08425 0.83529 0.24896 1.00000
Rh2 Rh 0.58633 0.83529 0.75104 1.00000
Rh3 Rh 0.25515 0.50000 0.75515 1.00000
Rh4 Rh 0.74485 0.50000 0.24485 1.00000
Rh5 Rh 0.41367 0.16471 0.24896 1.00000
Rh6 Rh 0.91575 0.16471 0.75104 1.00000
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