KRb(RuO4)2
Alexandria ALEXAlex-ID: agm078790980 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
RbRuO4 KRuO4
2025-01-12 23:47:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078790980).
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 agm078790980
data_agm078790980
_cell_length_a 4.90127
_cell_length_b 5.19497
_cell_length_c 10.31354
_cell_angle_alpha 94.63242
_cell_angle_beta 102.42415
_cell_angle_gamma 81.45549
_cell_volume 253.28289
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.46214 0.42137 0.25133 1.00000
Ru2 Ru 0.53786 0.57863 0.74867 1.00000
O1 O 0.81366 0.32648 0.79422 1.00000
O2 O 0.18634 0.67352 0.20578 1.00000
O3 O 0.63858 0.79922 0.65355 1.00000
O4 O 0.36142 0.20078 0.34645 1.00000
O5 O 0.54213 0.24783 0.10752 1.00000
O6 O 0.45787 0.75217 0.89248 1.00000
O7 O 0.75798 0.54470 0.34762 1.00000
O8 O 0.24202 0.45530 0.65238 1.00000
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