Rh2O3
Alexandria ALEXAlex-ID: agm005269716 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_971_spg15
RhO2 Rh
2023-04-21 09:38:46.841925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269716).
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 agm005269716
data_agm005269716
_cell_length_a 5.41842
_cell_length_b 5.41842
_cell_length_c 6.09570
_cell_angle_alpha 73.59539
_cell_angle_beta 73.59539
_cell_angle_gamma 44.41633
_cell_volume 119.28180
_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
Rh1 Rh 0.84339 0.85002 0.57628 1.00000
Rh2 Rh 0.15661 0.14998 0.42372 1.00000
Rh3 Rh 0.85002 0.84339 0.07628 1.00000
Rh4 Rh 0.14998 0.15661 0.92372 1.00000
O1 O 0.70845 0.69940 0.39811 1.00000
O2 O 0.06688 0.93312 0.25000 1.00000
O3 O 0.30060 0.29155 0.10189 1.00000
O4 O 0.29155 0.30060 0.60189 1.00000
O5 O 0.93312 0.06688 0.75000 1.00000
O6 O 0.69940 0.70845 0.89811 1.00000
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