H7OsC2
Alexandria ALEXAlex-ID: agm006201415 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_674_spg2
C Os H4C
2023-10-26 23:10:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201415).
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
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# CIF generated by HEAS from Alexandria entry agm006201415
data_agm006201415
_cell_length_a 2.72220
_cell_length_b 6.29044
_cell_length_c 8.10028
_cell_angle_alpha 129.84893
_cell_angle_beta 90.57016
_cell_angle_gamma 89.43697
_cell_volume 106.48458
_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
H1 H 0.42142 0.88273 0.20200 1.00000
H2 H 0.43198 0.91847 0.82225 1.00000
H3 H 0.41898 0.47020 0.80439 1.00000
H4 H 0.90707 0.38146 0.44052 1.00000
H5 H 0.42890 0.67600 0.28658 1.00000
H6 H 0.92450 0.38793 0.35142 1.00000
H7 H 0.92144 0.16833 0.64060 1.00000
C1 C 0.42874 0.12274 0.86565 1.00000
C2 C 0.42494 0.67418 0.15076 1.00000
Os1 Os 0.92441 0.37534 0.90399 1.00000
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