OsNCl5
Alexandria ALEXAlex-ID: agm005758801 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1112_spg15
OsCl5 N2Cl OsCl4
2023-07-14 20:08:03.348071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758801).
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 agm005758801
data_agm005758801
_cell_length_a 6.55682
_cell_length_b 10.90484
_cell_length_c 10.90484
_cell_angle_alpha 131.79904
_cell_angle_beta 107.17549
_cell_angle_gamma 107.17547
_cell_volume 401.45851
_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
Os1 Os 0.75000 0.41464 0.58536 1.00000
Os2 Os 0.25000 0.58536 0.41464 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
N2 N 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.86003 0.72165 0.90523 1.00000
Cl2 Cl 0.76570 0.36356 0.23720 1.00000
Cl3 Cl 0.36003 0.90523 0.72165 1.00000
Cl4 Cl 0.75000 0.30208 0.69792 1.00000
Cl5 Cl 0.73430 0.76280 0.63644 1.00000
Cl6 Cl 0.26570 0.23720 0.36356 1.00000
Cl7 Cl 0.25000 0.69792 0.30208 1.00000
Cl8 Cl 0.63997 0.09477 0.27835 1.00000
Cl9 Cl 0.23430 0.63644 0.76280 1.00000
Cl10 Cl 0.13997 0.27835 0.09477 1.00000
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