MgAl(H4Rh)2
Alexandria ALEXAlex-ID: agm007483704 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2121_spg1
Mg2H7Rh MgH5Rh2 H2 AlRh
2024-03-16 03:57:08.418308
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007483704).
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 agm007483704
data_agm007483704
_cell_length_a 4.83172
_cell_length_b 4.87204
_cell_length_c 5.05108
_cell_angle_alpha 117.68891
_cell_angle_beta 91.56809
_cell_angle_gamma 89.28634
_cell_volume 105.24828
_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 0.74905 0.00068 0.14271 1.00000
Al1 Al 0.29390 0.10888 0.62871 1.00000
H1 H 0.99668 0.65845 0.92131 1.00000
H2 H 0.62995 0.49568 0.17389 1.00000
H3 H 0.10636 0.28546 0.01250 1.00000
H4 H 0.47435 0.52735 0.77829 1.00000
H5 H 0.19791 0.71286 0.46902 1.00000
H6 H 0.95374 0.25457 0.50436 1.00000
H7 H 0.34023 0.02600 0.22592 1.00000
H8 H 0.66528 0.96619 0.70271 1.00000
Rh1 Rh 0.30028 0.64082 0.11993 1.00000
Rh2 Rh 0.79228 0.32307 0.82065 1.00000
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