Mg2H6PdRh
Alexandria ALEXAlex-ID: agm007447131 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1322_spg8
Mg2H5Rh2 Mg(HPd)2 Mg2H7Rh MgH2Pd3
2024-04-22 08:28:18.740541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447131).
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 agm007447131
data_agm007447131
_cell_length_a 5.00610
_cell_length_b 5.00340
_cell_length_c 4.79046
_cell_angle_alpha 101.79045
_cell_angle_beta 97.76157
_cell_angle_gamma 120.25191
_cell_volume 97.36037
_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 0.34271 0.67876 0.02792 1.00000
Mg2 Mg 0.65729 0.32124 0.97208 1.00000
H1 H 0.20458 0.21176 0.77227 1.00000
H2 H 0.36087 0.09515 0.26169 1.00000
H3 H 0.79542 0.78824 0.22773 1.00000
H4 H 0.09062 0.35946 0.27416 1.00000
H5 H 0.63913 0.90485 0.73831 1.00000
H6 H 0.90938 0.64054 0.72584 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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