K2Os2O7
Alexandria ALEXAlex-ID: agm005569766 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_494_spg12
KOsO4 KOsO3
2023-06-04 22:04:11.646179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569766).
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 agm005569766
data_agm005569766
_cell_length_a 5.29006
_cell_length_b 6.73451
_cell_length_c 6.73451
_cell_angle_alpha 105.08448
_cell_angle_beta 86.94623
_cell_angle_gamma 86.94624
_cell_volume 230.76627
_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 0.50000 0.70168 0.29832 1.00000
K2 K 0.50000 0.29832 0.70168 1.00000
Os1 Os 0.05678 0.21893 0.21893 1.00000
Os2 Os 0.94322 0.78107 0.78107 1.00000
O1 O 0.24348 0.36153 0.08161 1.00000
O2 O 0.75652 0.91839 0.63847 1.00000
O3 O 0.75652 0.63847 0.91839 1.00000
O4 O 0.24348 0.08161 0.36153 1.00000
O5 O 0.20164 0.63047 0.63047 1.00000
O6 O 0.00000 0.00000 0.00000 1.00000
O7 O 0.79836 0.36953 0.36953 1.00000
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