Mg2H8RuRh
Alexandria ALEXAlex-ID: agm007242539 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_30_spg2
MgH5Rh2 Mg2H6Ru H8Rh3 Ru
2024-03-16 03:35:47.782372
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007242539).
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 agm007242539
data_agm007242539
_cell_length_a 4.25982
_cell_length_b 4.77368
_cell_length_c 5.63581
_cell_angle_alpha 78.27238
_cell_angle_beta 79.38603
_cell_angle_gamma 63.25413
_cell_volume 99.64162
_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 0.64241 0.60803 0.20505 1.00000
Mg2 Mg 0.35759 0.39197 0.79495 1.00000
H1 H 0.78910 0.92201 0.79260 1.00000
H2 H 0.27924 0.95858 0.71886 1.00000
H3 H 0.82967 0.39522 0.90672 1.00000
H4 H 0.21090 0.07799 0.20740 1.00000
H5 H 0.72076 0.04142 0.28114 1.00000
H6 H 0.17033 0.60478 0.09328 1.00000
H7 H 0.81709 0.38654 0.51124 1.00000
H8 H 0.18291 0.61346 0.48876 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
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