MnFe2H6Os
Alexandria ALEXAlex-ID: agm007705268 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_573_spg15
MnH2 FeH Os H2
2024-03-05 16:48:08.279247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007705268).
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 agm007705268
data_agm007705268
_cell_length_a 5.61964
_cell_length_b 5.61964
_cell_length_c 4.69735
_cell_angle_alpha 81.89699
_cell_angle_beta 81.89699
_cell_angle_gamma 98.30485
_cell_volume 143.33884
_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
Mn1 Mn 0.81197 0.18803 0.25000 1.00000
Mn2 Mn 0.18803 0.81197 0.75000 1.00000
Fe1 Fe 0.09254 0.24485 0.69872 1.00000
Fe2 Fe 0.75515 0.90746 0.80128 1.00000
Fe3 Fe 0.90746 0.75515 0.30128 1.00000
Fe4 Fe 0.24485 0.09254 0.19872 1.00000
H1 H 0.38019 0.87838 0.39783 1.00000
H2 H 0.12162 0.61981 0.10217 1.00000
H3 H 0.61981 0.12162 0.60217 1.00000
H4 H 0.87838 0.38019 0.89783 1.00000
H5 H 0.12818 0.32753 0.32017 1.00000
H6 H 0.67247 0.87182 0.17983 1.00000
H7 H 0.87182 0.67247 0.67983 1.00000
H8 H 0.32753 0.12818 0.82017 1.00000
H9 H 0.51649 0.31217 0.13406 1.00000
H10 H 0.68783 0.48351 0.36594 1.00000
H11 H 0.48351 0.68783 0.86594 1.00000
H12 H 0.31217 0.51649 0.63406 1.00000
Os1 Os 0.39031 0.60969 0.25000 1.00000
Os2 Os 0.60969 0.39031 0.75000 1.00000
Get direct link