H9Os2C3
Alexandria ALEXAlex-ID: agm006193733 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1363_spg1
C Os H4C
2024-02-01 21:22:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006193733).
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 agm006193733
data_agm006193733
_cell_length_a 8.80099
_cell_length_b 5.81951
_cell_length_c 12.48379
_cell_angle_alpha 34.42204
_cell_angle_beta 129.04927
_cell_angle_gamma 146.55005
_cell_volume 195.71090
_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 0.22461 0.48710 0.88057 1.00000
Os2 Os 0.64363 0.40804 0.09064 1.00000
C1 C 0.59648 0.82311 0.31608 1.00000
C2 C 0.99933 0.13539 0.04186 1.00000
C3 C 0.57453 0.16861 0.79526 1.00000
H1 H 0.53277 0.34259 0.18863 1.00000
H2 H 0.86101 0.80730 0.91683 1.00000
H3 H 0.55811 0.29662 0.96624 1.00000
H4 H 0.14167 0.81363 0.67632 1.00000
H5 H 0.78148 0.61450 0.72476 1.00000
H6 H 0.58926 0.49216 0.46456 1.00000
H7 H 0.15729 0.32129 0.78359 1.00000
H8 H 0.04310 0.24717 0.10344 1.00000
H9 H 0.29673 0.04249 0.05122 1.00000
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