K5(OsCl6)2
Alexandria ALEXAlex-ID: agm005643263 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_285_spg12
K2OsCl6 Os KCl
2023-06-23 05:40:54.412390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643263).
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 agm005643263
data_agm005643263
_cell_length_a 7.45773
_cell_length_b 9.42520
_cell_length_c 10.07621
_cell_angle_alpha 107.55508
_cell_angle_beta 90.00001
_cell_angle_gamma 113.30511
_cell_volume 614.39592
_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 0.29250 0.58500 0.61090 1.00000
K2 K 0.31311 0.62621 0.18328 1.00000
K3 K 0.00000 0.00000 0.50000 1.00000
K4 K 0.68689 0.37379 0.81672 1.00000
K5 K 0.70750 0.41500 0.38910 1.00000
Os1 Os 0.75098 0.00000 0.00000 1.00000
Os2 Os 0.24902 1.00000 1.00000 1.00000
Cl1 Cl 0.00711 0.01422 0.15283 1.00000
Cl2 Cl 0.11302 0.71548 0.93635 1.00000
Cl3 Cl 0.60245 0.71548 0.93635 1.00000
Cl4 Cl 0.10109 0.70496 0.42340 1.00000
Cl5 Cl 0.60387 0.70496 0.42340 1.00000
Cl6 Cl 0.49316 0.98631 0.84438 1.00000
Cl7 Cl 0.50684 0.01369 0.15562 1.00000
Cl8 Cl 0.89891 0.29504 0.57660 1.00000
Cl9 Cl 0.39613 0.29504 0.57660 1.00000
Cl10 Cl 0.88698 0.28452 0.06365 1.00000
Cl11 Cl 0.39755 0.28452 0.06365 1.00000
Cl12 Cl 0.99289 0.98578 0.84717 1.00000
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