PmTh2AgRh5
Alexandria ALEXAlex-ID: agm005176683 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_231_spg140
Pm3Ag3Rh2 ThAgRh2 Th3Rh5 PmRh2
2023-01-19 13:54:14.510216
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176683).
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 agm005176683
data_agm005176683
_cell_length_a 8.32739
_cell_length_b 8.32739
_cell_length_c 8.14360
_cell_angle_alpha 120.74945
_cell_angle_beta 120.74945
_cell_angle_gamma 90.00000
_cell_volume 390.09775
_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
Pm1 Pm 0.25000 0.25000 0.50000 1.00000
Pm2 Pm 0.75000 0.75000 0.50000 1.00000
Th1 Th 0.13952 0.36048 0.00000 1.00000
Th2 Th 0.63952 0.13952 1.00000 1.00000
Th3 Th 0.36048 0.86048 0.00000 1.00000
Th4 Th 0.86048 0.63952 0.00000 1.00000
Ag1 Ag 0.25000 0.75000 0.50000 1.00000
Ag2 Ag 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.94283 0.44283 0.26896 1.00000
Rh2 Rh 0.67387 0.17387 0.73104 1.00000
Rh3 Rh 0.05717 0.55717 0.73104 1.00000
Rh4 Rh 0.17387 0.05717 0.73104 1.00000
Rh5 Rh 0.55717 0.67387 0.73104 1.00000
Rh6 Rh 0.82613 0.94283 0.26896 1.00000
Rh7 Rh 0.44283 0.32613 0.26896 1.00000
Rh8 Rh 0.32613 0.82613 0.26896 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.00000 0.00000 0.00000 1.00000
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