MgFeH6Os
Alexandria ALEXAlex-ID: agm007015601 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_121_spg74
FeH Mg2H6Os H2 Os
2024-03-05 16:19:35.379200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007015601).
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 agm007015601
data_agm007015601
_cell_length_a 5.78534
_cell_length_b 5.78534
_cell_length_c 5.78534
_cell_angle_alpha 118.26021
_cell_angle_beta 126.50458
_cell_angle_gamma 86.07999
_cell_volume 130.72510
_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 0.93506 0.68506 0.25000 1.00000
Mg2 Mg 0.06494 0.31494 0.75000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.50000 1.00000
H1 H 0.38393 0.63393 0.75000 1.00000
H2 H 0.84831 0.09831 0.75000 1.00000
H3 H 0.39896 0.12883 0.74339 1.00000
H4 H 0.88544 0.65556 0.75661 1.00000
H5 H 0.88544 0.12883 0.22987 1.00000
H6 H 0.39896 0.65556 0.27013 1.00000
H7 H 0.61607 0.36607 0.25000 1.00000
H8 H 0.15169 0.90169 0.25000 1.00000
H9 H 0.60104 0.87117 0.25661 1.00000
H10 H 0.11456 0.34444 0.24339 1.00000
H11 H 0.11456 0.87117 0.77013 1.00000
H12 H 0.60104 0.34444 0.72987 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
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