Rb5RuO4
Alexandria ALEXAlex-ID: agm006109331 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_591_spg129
Rb4RuO4 Rb3RuO3 Rb3O
2023-10-18 06:21:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006109331).
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 agm006109331
data_agm006109331
_cell_length_a 8.18540
_cell_length_b 9.15455
_cell_length_c 9.14324
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99996
_cell_volume 685.13659
_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
Rb1 Rb 0.79594 0.23141 0.26855 1.00000
Rb2 Rb 0.79594 0.23141 0.73145 1.00000
Rb3 Rb 0.10690 1.00000 0.50000 1.00000
Rb4 Rb 0.79594 0.76859 0.26855 1.00000
Rb5 Rb 0.79594 0.76859 0.73145 1.00000
Rb6 Rb 0.20406 0.73141 0.23145 1.00000
Rb7 Rb 0.20406 0.73141 0.76855 1.00000
Rb8 Rb 0.89310 0.50000 0.00000 1.00000
Rb9 Rb 0.20406 0.26859 0.76855 1.00000
Rb10 Rb 0.20406 0.26859 0.23145 1.00000
Ru1 Ru 0.99989 1.00000 0.00000 1.00000
Ru2 Ru 0.00011 0.50000 0.50000 1.00000
O1 O 0.98710 0.21153 0.00000 1.00000
O2 O 0.01263 1.00000 0.21178 1.00000
O3 O 0.01263 1.00000 0.78822 1.00000
O4 O 0.98710 0.78847 0.00000 1.00000
O5 O 0.01290 0.71153 0.50000 1.00000
O6 O 0.98737 0.50000 0.28822 1.00000
O7 O 0.98737 0.50000 0.71178 1.00000
O8 O 0.01290 0.28847 0.50000 1.00000
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