PrRhO4
Alexandria ALEXAlex-ID: agm003738579 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_60_spg15
RhO2 PrO2
2022-04-18 20:08:57.752668
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003738579).
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 agm003738579
data_agm003738579
_cell_length_a 6.12925
_cell_length_b 7.24706
_cell_length_c 5.76978
_cell_angle_alpha 113.68312
_cell_angle_beta 105.27980
_cell_angle_gamma 115.22229
_cell_volume 180.75156
_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 0.38323 0.63323 0.26646 1.00000
Pr2 Pr 0.61677 0.36677 0.73354 1.00000
Rh1 Rh 0.24420 0.99420 0.98839 1.00000
Rh2 Rh 0.75580 0.00580 0.01161 1.00000
O1 O 0.89871 0.29611 0.00667 1.00000
O2 O 0.83316 0.83354 0.70611 1.00000
O3 O 0.60795 0.71056 0.00667 1.00000
O4 O 0.37296 0.87258 0.70611 1.00000
O5 O 0.62704 0.12742 0.29389 1.00000
O6 O 0.39205 0.28944 0.99333 1.00000
O7 O 0.16684 0.16646 0.29389 1.00000
O8 O 0.10129 0.70389 0.99333 1.00000
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