Mg5H3Ru2
Alexandria ALEXAlex-ID: agm007266239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_368_spg12
Mg44Ru7 Mg2H4Ru Mg3Ru2
2024-03-05 09:55:52.175366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007266239).
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 agm007266239
data_agm007266239
_cell_length_a 4.86326
_cell_length_b 5.36439
_cell_length_c 5.36627
_cell_angle_alpha 93.29442
_cell_angle_beta 89.01239
_cell_angle_gamma 89.16757
_cell_volume 139.72846
_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 0.25645 0.52626 0.15643 1.00000
Mg2 Mg 0.25639 0.15608 0.52541 1.00000
Mg3 Mg 0.74355 0.47374 0.84357 1.00000
Mg4 Mg 0.74361 0.84392 0.47459 1.00000
Mg5 Mg 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.43496 0.83928 0.84741 1.00000
H3 H 0.56504 0.16072 0.15259 1.00000
Ru1 Ru 0.22613 0.66421 0.66489 1.00000
Ru2 Ru 0.77387 0.33579 0.33511 1.00000
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