Cu(RuO4)2
Alexandria ALEXAlex-ID: agm005877692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_38_spg12
RuO4 CuRu3O8 CuO
2023-10-20 11:12:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877692).
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 agm005877692
data_agm005877692
_cell_length_a 5.18325
_cell_length_b 6.20559
_cell_length_c 6.20559
_cell_angle_alpha 85.36384
_cell_angle_beta 82.28305
_cell_angle_gamma 82.28304
_cell_volume 195.60339
_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
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.59513 0.77369 0.77369 1.00000
Ru2 Ru 0.40487 0.22631 0.22631 1.00000
O1 O 0.27535 0.98169 0.30204 1.00000
O2 O 0.27535 0.30204 0.98169 1.00000
O3 O 0.72465 0.01831 0.69796 1.00000
O4 O 0.29311 0.41454 0.41454 1.00000
O5 O 0.72465 0.69796 0.01831 1.00000
O6 O 0.24741 0.82759 0.82759 1.00000
O7 O 0.75259 0.17241 0.17241 1.00000
O8 O 0.70689 0.58546 0.58546 1.00000
Get direct link