RbLi(OsO4)2
Alexandria ALEXAlex-ID: agm004874836 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_445_spg12
Rb(OsO4)2 RbOsO4 Li(OsO3)2 Li5OsO6
2023-01-01 22:26:36.266863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004874836).
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 agm004874836
data_agm004874836
_cell_length_a 5.43304
_cell_length_b 5.43304
_cell_length_c 8.25625
_cell_angle_alpha 85.83684
_cell_angle_beta 85.83684
_cell_angle_gamma 67.15964
_cell_volume 223.74386
_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 0.00000 0.00000 0.50000 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.62699 0.62699 0.20782 1.00000
Os2 Os 0.37301 0.37301 0.79218 1.00000
O1 O 0.72328 0.23370 0.81281 1.00000
O2 O 0.77321 0.77321 0.05377 1.00000
O3 O 0.68551 0.68551 0.40654 1.00000
O4 O 0.31449 0.31449 0.59346 1.00000
O5 O 0.22679 0.22679 0.94623 1.00000
O6 O 0.23370 0.72328 0.81281 1.00000
O7 O 0.76630 0.27672 0.18719 1.00000
O8 O 0.27672 0.76630 0.18719 1.00000
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