Mg5HRu4
Alexandria ALEXAlex-ID: agm007334975 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_1084_spg1
Mg2H4Ru Ru Mg3Ru2
2024-03-26 12:02:00.095301
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007334975).
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 agm007334975
data_agm007334975
_cell_length_a 5.15710
_cell_length_b 5.40848
_cell_length_c 6.75637
_cell_angle_alpha 72.91428
_cell_angle_beta 83.76405
_cell_angle_gamma 61.76274
_cell_volume 158.59228
_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 0.13053 0.33072 0.86954 1.00000
Mg2 Mg 0.81976 0.94863 0.99706 1.00000
Mg3 Mg 0.79708 0.84348 0.49700 1.00000
Mg4 Mg 0.28100 0.39196 0.26125 1.00000
Mg5 Mg 0.57509 0.41491 0.59216 1.00000
H1 H 0.68620 0.69519 0.27604 1.00000
Ru1 Ru 0.80055 0.36668 0.21278 1.00000
Ru2 Ru 0.47944 0.66692 0.90016 1.00000
Ru3 Ru 0.17767 0.01500 0.59764 1.00000
Ru4 Ru 0.29136 0.89063 0.24865 1.00000
Get direct link