Mg2H8Pd3
Alexandria ALEXAlex-ID: agm090822362 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_1341_spg8
MgH6 Mg(HPd)2 H2
2025-05-27 07:58:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090822362).
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 agm090822362
data_agm090822362
_cell_length_a 3.68967
_cell_length_b 4.92407
_cell_length_c 7.52994
_cell_angle_alpha 109.07035
_cell_angle_beta 89.99793
_cell_angle_gamma 112.02225
_cell_volume 118.68684
_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 0.57648 0.73155 0.21503 1.00000
Mg2 Mg 0.35975 0.29721 0.62487 1.00000
H1 H 0.34293 0.26304 0.93371 1.00000
H2 H 0.09286 0.76176 0.02107 1.00000
H3 H 0.80441 0.18484 0.14122 1.00000
H4 H 0.93018 0.43773 0.75625 1.00000
H5 H 0.75911 0.09504 0.45516 1.00000
H6 H 0.11466 0.80479 0.54187 1.00000
H7 H 0.41950 0.41588 0.37138 1.00000
H8 H 0.66704 0.91111 0.80950 1.00000
Pd1 Pd 0.12847 0.83381 0.78938 1.00000
Pd2 Pd 0.91657 0.40990 0.37698 1.00000
Pd3 Pd 0.88804 0.35332 0.96357 1.00000
Get direct link