Mg5H2Os3
Alexandria ALEXAlex-ID: agm007264099 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_719_spg5
Mg2H4Os Mg Os
2024-03-15 15:26:54.717811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007264099).
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 agm007264099
data_agm007264099
_cell_length_a 5.39666
_cell_length_b 5.39666
_cell_length_c 6.23497
_cell_angle_alpha 74.05418
_cell_angle_beta 74.05418
_cell_angle_gamma 55.72805
_cell_volume 142.62941
_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 0.05461 0.40498 0.37680 1.00000
Mg2 Mg 0.24081 0.75919 0.50000 1.00000
Mg3 Mg 0.64565 0.88659 0.10347 1.00000
Mg4 Mg 0.11341 0.35435 0.89653 1.00000
Mg5 Mg 0.59502 0.94539 0.62320 1.00000
H1 H 0.93774 0.93427 0.81969 1.00000
H2 H 0.06573 0.06226 0.18031 1.00000
Os1 Os 0.68686 0.33631 0.76909 1.00000
Os2 Os 0.66369 0.31314 0.23091 1.00000
Os3 Os 0.26950 0.73050 0.00000 1.00000
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