Mg2H5PdRh
Alexandria ALEXAlex-ID: agm006970101 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_236_spg36
Mg(HPd)2 Mg2H7Rh MgPd MgH2Rh
2025-05-27 00:09:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006970101).
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 agm006970101
data_agm006970101
_cell_length_a 5.92267
_cell_length_b 5.92267
_cell_length_c 9.47747
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 149.98016
_cell_volume 166.32500
_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 0.15966 0.84034 0.31916 1.00000
Mg2 Mg 0.90876 0.09124 0.17113 1.00000
Mg3 Mg 0.84034 0.15966 0.81916 1.00000
Mg4 Mg 0.09124 0.90876 0.67113 1.00000
H1 H 0.62226 0.37774 0.50346 1.00000
H2 H 0.30434 0.69566 0.44212 1.00000
H3 H 0.51687 0.48313 0.24036 1.00000
H4 H 0.72625 0.27375 0.15781 1.00000
H5 H 0.07055 0.92945 0.03683 1.00000
H6 H 0.37774 0.62226 0.00346 1.00000
H7 H 0.69566 0.30434 0.94212 1.00000
H8 H 0.48313 0.51687 0.74036 1.00000
H9 H 0.27375 0.72625 0.65781 1.00000
H10 H 0.92945 0.07055 0.53683 1.00000
Pd1 Pd 0.47370 0.52630 0.41190 1.00000
Pd2 Pd 0.52630 0.47370 0.91190 1.00000
Rh1 Rh 0.22854 0.77146 0.04343 1.00000
Rh2 Rh 0.77146 0.22854 0.54343 1.00000
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