Na2RuO4
Alexandria ALEXAlex-ID: agm083522305 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1790_spg15
Na2RuO4
2025-03-02 07:41:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083522305).
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 agm083522305
data_agm083522305
_cell_length_a 8.30817
_cell_length_b 7.19154
_cell_length_c 6.16542
_cell_angle_alpha 76.49769
_cell_angle_beta 57.31724
_cell_angle_gamma 46.18507
_cell_volume 217.66970
_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 0.56488 0.93512 0.56488 1.00000
Na2 Na 0.93512 0.56488 0.93512 1.00000
Na3 Na 0.68512 0.31488 0.68512 1.00000
Na4 Na 0.31488 0.68512 0.31488 1.00000
Ru1 Ru 0.25000 0.25000 0.25000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
O1 O 0.81130 0.34058 0.97761 1.00000
O2 O 0.97761 0.87051 0.81130 1.00000
O3 O 0.87051 0.97761 0.34058 1.00000
O4 O 0.34058 0.81130 0.87051 1.00000
O5 O 0.43870 0.90942 0.27239 1.00000
O6 O 0.27239 0.37949 0.43870 1.00000
O7 O 0.37949 0.27239 0.90942 1.00000
O8 O 0.90942 0.43870 0.37949 1.00000
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