Pr(Np4Rh3)2
Alexandria ALEXAlex-ID: agm072002197 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
NpRh Np PrRh
2024-10-02 08:56:01.838209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072002197).
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 agm072002197
data_agm072002197
_cell_length_a 6.87146
_cell_length_b 6.87069
_cell_length_c 6.87539
_cell_angle_alpha 73.70722
_cell_angle_beta 73.69193
_cell_angle_gamma 73.72417
_cell_volume 291.78777
_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
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.26136 0.26133 0.76101 1.00000
Np2 Np 0.73864 0.73867 0.23899 1.00000
Np3 Np 0.46848 0.82891 0.54265 1.00000
Np4 Np 0.04236 0.46849 0.32906 1.00000
Np5 Np 0.82898 0.04233 0.96855 1.00000
Np6 Np 0.53152 0.17109 0.45735 1.00000
Np7 Np 0.95764 0.53151 0.67094 1.00000
Np8 Np 0.17102 0.95767 0.03145 1.00000
Rh1 Rh 0.38699 0.22703 0.12449 1.00000
Rh2 Rh 0.62443 0.38704 0.72739 1.00000
Rh3 Rh 0.22699 0.62433 0.88728 1.00000
Rh4 Rh 0.61301 0.77297 0.87551 1.00000
Rh5 Rh 0.37557 0.61296 0.27261 1.00000
Rh6 Rh 0.77301 0.37567 0.11272 1.00000
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