Os(NCl4)2
Alexandria ALEXAlex-ID: agm006001908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1953_spg12
NCl OsCl6
2023-09-28 15:52:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006001908).
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 agm006001908
data_agm006001908
_cell_length_a 7.48699
_cell_length_b 12.29897
_cell_length_c 7.56318
_cell_angle_alpha 94.11345
_cell_angle_beta 74.83074
_cell_angle_gamma 33.99527
_cell_volume 317.53033
_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 0.00000 0.00000 0.00000 1.00000
N1 N 0.74517 0.99848 0.15692 1.00000
N2 N 0.25483 0.00152 0.84308 1.00000
Cl1 Cl 0.49932 0.27948 0.95626 1.00000
Cl2 Cl 0.01286 0.24401 0.89154 1.00000
Cl3 Cl 0.65354 0.28485 0.32583 1.00000
Cl4 Cl 0.34646 0.71515 0.67417 1.00000
Cl5 Cl 0.98714 0.75599 0.10846 1.00000
Cl6 Cl 0.50068 0.72052 0.04374 1.00000
Cl7 Cl 0.26153 0.23958 0.35079 1.00000
Cl8 Cl 0.73847 0.76042 0.64921 1.00000
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