Mg5HOs
Alexandria ALEXAlex-ID: agm007353025 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1349_spg44
Mg2H4Os Mg Os
2024-03-06 02:32:22.549565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007353025).
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 agm007353025
data_agm007353025
_cell_length_a 5.48306
_cell_length_b 5.48306
_cell_length_c 5.51219
_cell_angle_alpha 61.14589
_cell_angle_beta 61.14589
_cell_angle_gamma 64.59607
_cell_volume 122.90041
_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
Mg1 Mg 0.01481 0.44114 0.52241 1.00000
Mg2 Mg 0.33719 0.36261 0.90534 1.00000
Mg3 Mg 0.55886 0.98519 0.47759 1.00000
Mg4 Mg 0.06554 0.93446 0.00000 1.00000
Mg5 Mg 0.63739 0.66281 0.09466 1.00000
H1 H 0.79363 0.20637 0.50000 1.00000
Os1 Os 0.08260 0.91740 0.50000 1.00000
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