MgH6Ru
Alexandria ALEXAlex-ID: agm071120933 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1361_spg212
H8Ru3 Mg2H6Ru H2
2024-08-16 09:17:34.757043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071120933).
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 agm071120933
data_agm071120933
_cell_length_a 7.35770
_cell_length_b 7.35770
_cell_length_c 7.35770
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 398.31396
_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 0.62500 0.62500 0.62500 1.00000
Mg2 Mg 0.87500 0.37500 0.12500 1.00000
Mg3 Mg 0.37500 0.12500 0.87500 1.00000
Mg4 Mg 0.12500 0.87500 0.37500 1.00000
H1 H 0.96319 0.65485 0.57841 1.00000
H2 H 0.53681 0.34515 0.07841 1.00000
H3 H 0.03681 0.15485 0.92159 1.00000
H4 H 0.46319 0.84515 0.42159 1.00000
H5 H 0.57841 0.96319 0.65485 1.00000
H6 H 0.07841 0.53681 0.34515 1.00000
H7 H 0.92159 0.03681 0.15485 1.00000
H8 H 0.42159 0.46319 0.84515 1.00000
H9 H 0.65485 0.57841 0.96319 1.00000
H10 H 0.34515 0.07841 0.53681 1.00000
H11 H 0.15485 0.92159 0.03681 1.00000
H12 H 0.84515 0.42159 0.46319 1.00000
H13 H 0.90485 0.71319 0.17159 1.00000
H14 H 0.59515 0.28681 0.67159 1.00000
H15 H 0.40485 0.78681 0.82841 1.00000
H16 H 0.09515 0.21319 0.32841 1.00000
H17 H 0.21319 0.32841 0.09515 1.00000
H18 H 0.78681 0.82841 0.40485 1.00000
H19 H 0.28681 0.67159 0.59515 1.00000
H20 H 0.71319 0.17159 0.90485 1.00000
H21 H 0.82841 0.40485 0.78681 1.00000
H22 H 0.32841 0.09515 0.21319 1.00000
H23 H 0.17159 0.90485 0.71319 1.00000
H24 H 0.67159 0.59515 0.28681 1.00000
Ru1 Ru 0.12500 0.12500 0.12500 1.00000
Ru2 Ru 0.37500 0.87500 0.62500 1.00000
Ru3 Ru 0.87500 0.62500 0.37500 1.00000
Ru4 Ru 0.62500 0.37500 0.87500 1.00000
