MnAl2H6Ru
Alexandria ALEXAlex-ID: agm007240604 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2253_spg12
MnH2 MnAl2H7 Al3Ru2 AlH3Ru
2024-03-26 05:01:57.567160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007240604).
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 agm007240604
data_agm007240604
_cell_length_a 4.20113
_cell_length_b 4.84912
_cell_length_c 4.91463
_cell_angle_alpha 71.25692
_cell_angle_beta 119.68592
_cell_angle_gamma 120.90989
_cell_volume 74.32475
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.40011 0.65263 0.15458 1.00000
Al2 Al 0.59989 0.34737 0.84542 1.00000
H1 H 0.98150 0.21297 0.18889 1.00000
H2 H 0.49517 0.79032 0.74737 1.00000
H3 H 0.01850 0.78703 0.81111 1.00000
H4 H 0.96491 0.10913 0.63225 1.00000
H5 H 0.50483 0.20968 0.25263 1.00000
H6 H 0.03509 0.89087 0.36775 1.00000
Ru1 Ru 0.00000 0.50000 0.50000 1.00000
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