MnFe2H6Os
Alexandria ALEXAlex-ID: agm007448747 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_232_spg2
MnH2 FeH Os H2
2024-03-05 17:00:47.516695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448747).
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 agm007448747
data_agm007448747
_cell_length_a 4.53395
_cell_length_b 4.49065
_cell_length_c 4.80571
_cell_angle_alpha 94.90664
_cell_angle_beta 106.37811
_cell_angle_gamma 117.10256
_cell_volume 80.90181
_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 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.16551 0.83997 0.52464 1.00000
Fe2 Fe 0.83449 0.16003 0.47536 1.00000
H1 H 0.50701 0.78200 0.78495 1.00000
H2 H 0.27383 0.23983 0.72882 1.00000
H3 H 0.49299 0.21800 0.21505 1.00000
H4 H 0.90744 0.54510 0.73625 1.00000
H5 H 0.72617 0.76017 0.27118 1.00000
H6 H 0.09256 0.45490 0.26375 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
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