Os3Cl
Alexandria ALEXAlex-ID: agm005494755 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1697_spg63
OsCl4 Os
2023-03-18 18:02:32.187622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005494755).
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 agm005494755
data_agm005494755
_cell_length_a 5.47962
_cell_length_b 5.47962
_cell_length_c 4.59446
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 108.22140
_cell_volume 131.03689
_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 0.91015 0.08985 0.75000 1.00000
Os2 Os 0.08985 0.91015 0.25000 1.00000
Os3 Os 0.99666 0.61625 0.75000 1.00000
Os4 Os 0.00334 0.38375 0.25000 1.00000
Os5 Os 0.38375 0.00334 0.75000 1.00000
Os6 Os 0.61625 0.99666 0.25000 1.00000
Cl1 Cl 0.44358 0.55642 0.25000 1.00000
Cl2 Cl 0.55642 0.44358 0.75000 1.00000
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