LiOs2Cl11
Alexandria ALEXAlex-ID: agm005744752 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_42_spg8
OsCl5 LiOsCl6
2023-07-02 15:11:10.564515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005744752).
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 agm005744752
data_agm005744752
_cell_length_a 14.91969
_cell_length_b 10.83566
_cell_length_c 11.12966
_cell_angle_alpha 55.57691
_cell_angle_beta 46.39270
_cell_angle_gamma 48.05015
_cell_volume 950.62423
_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 0.82330 0.78170 0.56571 1.00000
Li2 Li 0.17071 0.43429 0.21830 1.00000
Os1 Os 0.57314 0.63444 0.36556 1.00000
Os2 Os 0.44457 0.21938 0.78062 1.00000
Os3 Os 0.92032 0.25832 0.74168 1.00000
Os4 Os 0.06280 0.87098 0.12902 1.00000
Cl1 Cl 0.54917 0.74320 0.51976 1.00000
Cl2 Cl 0.49306 0.19109 0.55229 1.00000
Cl3 Cl 0.23643 0.44771 0.80891 1.00000
Cl4 Cl 0.97608 0.01170 0.73028 1.00000
Cl5 Cl 0.81213 0.48024 0.25680 1.00000
Cl6 Cl 0.03427 0.02911 0.23604 1.00000
Cl7 Cl 0.29942 0.76396 0.97089 1.00000
Cl8 Cl 0.71806 0.26972 0.98830 1.00000
Cl9 Cl 0.56440 0.38815 0.61184 1.00000
Cl10 Cl 0.04879 0.10411 0.89589 1.00000
Cl11 Cl 0.59521 0.85233 0.14767 1.00000
Cl12 Cl 0.35314 0.03814 0.96186 1.00000
Cl13 Cl 0.82440 0.42115 0.57885 1.00000
Cl14 Cl 0.08552 0.64410 0.35590 1.00000
Cl15 Cl 0.33523 0.76514 0.49354 1.00000
Cl16 Cl 0.66898 0.98895 0.74202 1.00000
Cl17 Cl 0.39995 0.25798 0.01105 1.00000
Cl18 Cl 0.14164 0.23208 0.49920 1.00000
Cl19 Cl 0.59391 0.50646 0.23486 1.00000
Cl20 Cl 0.82203 0.96159 0.29682 1.00000
Cl21 Cl 0.08044 0.70318 0.03841 1.00000
Cl22 Cl 0.87292 0.50080 0.76792 1.00000
