Na3Y2RhO6
Alexandria ALEXAlex-ID: agm004623944 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
NaYO2 NaRhO2
2022-06-28 13:07:07.823561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004623944).
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 agm004623944
data_agm004623944
_cell_length_a 5.70228
_cell_length_b 5.70228
_cell_length_c 5.89489
_cell_angle_alpha 99.05794
_cell_angle_beta 99.05794
_cell_angle_gamma 119.97335
_cell_volume 157.60453
_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 0.15507 0.84493 0.50000 1.00000
Na2 Na 0.84493 0.15507 0.50000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.33263 0.66737 0.00000 1.00000
Y2 Y 0.66737 0.33263 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
O1 O 0.92901 0.61248 0.78430 1.00000
O2 O 0.75141 0.75141 0.21198 1.00000
O3 O 0.07099 0.38752 0.21570 1.00000
O4 O 0.61248 0.92901 0.78430 1.00000
O5 O 0.24859 0.24859 0.78802 1.00000
O6 O 0.38752 0.07099 0.21570 1.00000
Get direct link