AlH6Os
Alexandria ALEXAlex-ID: agm007362353 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1378_spg25
AlH5Os H2
2024-08-14 03:18:38.726384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362353).
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 agm007362353
data_agm007362353
_cell_length_a 5.82682
_cell_length_b 4.42744
_cell_length_c 5.14230
_cell_angle_alpha 89.69578
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 132.65849
_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 0.00000 0.00391 0.10698 1.00000
Al2 Al 0.50000 0.99949 0.55627 1.00000
H1 H 0.76412 0.74939 0.25719 1.00000
H2 H 0.74941 0.24897 0.77508 1.00000
H3 H 0.25193 0.74722 0.77472 1.00000
H4 H 0.23654 0.25443 0.25620 1.00000
H5 H 0.25059 0.24897 0.77508 1.00000
H6 H 0.23588 0.74939 0.25719 1.00000
H7 H 0.76346 0.25443 0.25620 1.00000
H8 H 0.74807 0.74722 0.77472 1.00000
H9 H 0.00000 0.27951 0.56578 1.00000
H10 H 0.00000 0.71830 0.56995 1.00000
H11 H 0.50000 0.50207 0.31464 1.00000
H12 H 0.50000 0.49715 0.72074 1.00000
Os1 Os 0.25323 0.49971 0.51964 1.00000
Os2 Os 0.74677 0.49971 0.51964 1.00000
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