Na5Ni(RhO4)2
Alexandria ALEXAlex-ID: agm020278910 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D8_53_spg5
Na2RhO3 Na3Ni2RhO6 Na3RhO4
2025-01-01 01:25:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020278910).
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 agm020278910
data_agm020278910
_cell_length_a 6.45291
_cell_length_b 6.45291
_cell_length_c 5.42058
_cell_angle_alpha 73.05066
_cell_angle_beta 106.94934
_cell_angle_gamma 121.38465
_cell_volume 181.60193
_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
Na1 Na 0.75522 0.24800 0.50405 1.00000
Na2 Na 0.00148 0.49442 0.02220 1.00000
Na3 Na 0.24800 0.75522 0.49595 1.00000
Na4 Na 0.49442 0.00148 0.97780 1.00000
Na5 Na 0.24704 0.24704 0.50000 1.00000
Ni1 Ni 0.00044 0.00044 0.00000 1.00000
Rh1 Rh 0.49347 0.49347 0.00000 1.00000
Rh2 Rh 0.75482 0.75482 0.50000 1.00000
O1 O 0.07346 0.86876 0.74565 1.00000
O2 O 0.36982 0.15420 0.20378 1.00000
O3 O 0.62515 0.42796 0.75425 1.00000
O4 O 0.84433 0.64142 0.24184 1.00000
O5 O 0.42796 0.62515 0.24575 1.00000
O6 O 0.64142 0.84433 0.75816 1.00000
O7 O 0.86876 0.07346 0.25435 1.00000
O8 O 0.15420 0.36982 0.79622 1.00000
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