MgFe(H4Ru)2
Alexandria ALEXAlex-ID: agm007558321 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_385_spg147
FeH Mg2H6Ru H8Ru3
2024-10-14 15:35:27.794036
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007558321).
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 agm007558321
data_agm007558321
_cell_length_a 4.32420
_cell_length_b 4.32420
_cell_length_c 5.55059
_cell_angle_alpha 87.36549
_cell_angle_beta 87.36549
_cell_angle_gamma 59.12797
_cell_volume 88.95911
_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 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
H1 H 0.66902 0.24324 0.70865 1.00000
H2 H 0.18719 0.18719 0.64283 1.00000
H3 H 0.30068 0.30068 0.07492 1.00000
H4 H 0.69932 0.69932 0.92508 1.00000
H5 H 0.81281 0.81281 0.35717 1.00000
H6 H 0.24324 0.66902 0.70865 1.00000
H7 H 0.75676 0.33098 0.29135 1.00000
H8 H 0.33098 0.75676 0.29135 1.00000
Ru1 Ru 0.34575 0.34575 0.35883 1.00000
Ru2 Ru 0.65425 0.65425 0.64117 1.00000
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