NaNi(RuO4)2
Alexandria ALEXAlex-ID: agm019059101 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
Na(RuO4)3 Ni(RuO3)2 NaRuO4 NiO
2025-01-29 02:40:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019059101).
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 agm019059101
data_agm019059101
_cell_length_a 5.27978
_cell_length_b 5.27978
_cell_length_c 7.04348
_cell_angle_alpha 89.90034
_cell_angle_beta 90.09966
_cell_angle_gamma 113.71853
_cell_volume 179.75914
_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 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.63972 0.36028 0.26850 1.00000
Ru2 Ru 0.36028 0.63972 0.73150 1.00000
O1 O 0.21798 0.26916 0.71311 1.00000
O2 O 0.77135 0.22865 0.45789 1.00000
O3 O 0.72830 0.27170 0.04749 1.00000
O4 O 0.27170 0.72830 0.95251 1.00000
O5 O 0.22865 0.77135 0.54211 1.00000
O6 O 0.73084 0.78202 0.71311 1.00000
O7 O 0.26916 0.21798 0.28689 1.00000
O8 O 0.78202 0.73084 0.28689 1.00000
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