AlH6Os
Alexandria ALEXAlex-ID: agm098790952 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_564_spg15
AlH5Os H2
2025-05-27 00:34:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098790952).
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 agm098790952
data_agm098790952
_cell_length_a 4.53519
_cell_length_b 4.53519
_cell_length_c 6.51938
_cell_angle_alpha 68.76259
_cell_angle_beta 111.23741
_cell_angle_gamma 91.40850
_cell_volume 115.61504
_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
Al1 Al 0.56999 0.56999 0.25000 1.00000
Al2 Al 0.43001 0.43001 0.75000 1.00000
H1 H 0.69650 0.88965 0.34697 1.00000
H2 H 0.30350 0.11035 0.65303 1.00000
H3 H 0.88965 0.69650 0.15303 1.00000
H4 H 0.11035 0.30350 0.84697 1.00000
H5 H 0.72177 0.86844 0.82263 1.00000
H6 H 0.27823 0.13156 0.17737 1.00000
H7 H 0.86844 0.72177 0.67737 1.00000
H8 H 0.13156 0.27823 0.32263 1.00000
H9 H 0.75378 0.20523 0.02459 1.00000
H10 H 0.24622 0.79477 0.97541 1.00000
H11 H 0.20523 0.75378 0.47541 1.00000
H12 H 0.79477 0.24622 0.52459 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Os2 Os 0.00000 0.50000 0.00000 1.00000
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