MgH4Pd
Alexandria ALEXAlex-ID: agm007363003 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_221_spg11
MgH6 Mg(HPd)2
2024-08-14 01:36:10.990418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007363003).
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 agm007363003
data_agm007363003
_cell_length_a 4.64272
_cell_length_b 4.80535
_cell_length_c 5.20349
_cell_angle_alpha 75.28956
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 112.28423
_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 0.75000 0.76001 0.93244 1.00000
Mg2 Mg 0.25000 0.23999 0.06756 1.00000
H1 H 0.50335 0.51277 0.27339 1.00000
H2 H 0.49665 0.48723 0.72661 1.00000
H3 H 0.99665 0.51277 0.27339 1.00000
H4 H 0.00335 0.48723 0.72661 1.00000
H5 H 0.75000 0.10118 0.06712 1.00000
H6 H 0.25000 0.89882 0.93288 1.00000
H7 H 0.50000 0.00000 0.50000 1.00000
H8 H 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.75000 0.25318 0.34463 1.00000
Pd2 Pd 0.25000 0.74682 0.65537 1.00000
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