Os2(CN2)3
Alexandria ALEXAlex-ID: agm005508628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_108_spg12
Os C N2
2023-03-15 10:43:45.998139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508628).
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 agm005508628
data_agm005508628
_cell_length_a 9.93446
_cell_length_b 3.34243
_cell_length_c 5.08672
_cell_angle_alpha 90.00001
_cell_angle_beta 60.88522
_cell_angle_gamma 80.31543
_cell_volume 144.80241
_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 0.35919 0.82040 0.05952 1.00000
Os2 Os 0.64081 0.17960 0.94048 1.00000
C1 C 0.63686 0.68157 0.43290 1.00000
C2 C 0.36314 0.31843 0.56710 1.00000
C3 C 0.00000 0.00000 0.50000 1.00000
N1 N 0.33789 0.33106 0.82892 1.00000
N2 N 0.66211 0.66894 0.17108 1.00000
N3 N 0.39903 0.30049 0.29313 1.00000
N4 N 0.60097 0.69951 0.70687 1.00000
N5 N 0.14256 0.92872 0.34108 1.00000
N6 N 0.85744 0.07128 0.65892 1.00000
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