Pm2P3RuRh12
Alexandria ALEXAlex-ID: agm004496648 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
Pm2PRh6 Rh PRh2 RuRh
2022-06-20 22:59:44.116258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004496648).
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 agm004496648
data_agm004496648
_cell_length_a 7.02486
_cell_length_b 7.02486
_cell_length_c 7.02486
_cell_angle_alpha 74.28427
_cell_angle_beta 74.28427
_cell_angle_gamma 74.28427
_cell_volume 313.85178
_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 0.60642 0.60642 0.60642 1.00000
Pm2 Pm 0.39358 0.39358 0.39358 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33050 0.33050 0.91394 1.00000
Rh2 Rh 0.85060 0.85060 0.36294 1.00000
Rh3 Rh 0.36294 0.85060 0.85060 1.00000
Rh4 Rh 0.91394 0.33050 0.33050 1.00000
Rh5 Rh 0.85060 0.36294 0.85060 1.00000
Rh6 Rh 0.33050 0.91394 0.33050 1.00000
Rh7 Rh 0.66950 0.66950 0.08606 1.00000
Rh8 Rh 0.14940 0.14940 0.63706 1.00000
Rh9 Rh 0.63706 0.14940 0.14940 1.00000
Rh10 Rh 0.08606 0.66950 0.66950 1.00000
Rh11 Rh 0.14940 0.63706 0.14940 1.00000
Rh12 Rh 0.66950 0.08606 0.66950 1.00000
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