LiOs(RuO3)2
Alexandria ALEXAlex-ID: agm004948060 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
OsRu3O8 Li5OsO6 Os RuO2
2022-07-26 20:50:05.093320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004948060).
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 agm004948060
data_agm004948060
_cell_length_a 4.97339
_cell_length_b 4.95168
_cell_length_c 5.42515
_cell_angle_alpha 65.27275
_cell_angle_beta 64.91666
_cell_angle_gamma 64.64169
_cell_volume 104.67001
_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
Li1 Li 0.80557 0.81547 0.57608 1.00000
Os1 Os 0.31441 0.31347 0.01296 1.00000
Ru1 Ru 0.51835 0.50758 0.46965 1.00000
Ru2 Ru 0.02258 0.01978 0.98040 1.00000
O1 O 0.59640 0.24606 0.22414 1.00000
O2 O 0.25110 0.90508 0.26727 1.00000
O3 O 0.92549 0.59786 0.21926 1.00000
O4 O 0.40432 0.72143 0.77446 1.00000
O5 O 0.72792 0.10419 0.76546 1.00000
O6 O 0.09547 0.43068 0.72552 1.00000
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