MgZn(H4Pd)2
Alexandria ALEXAlex-ID: agm007169017 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2696_spg5
MgH6 Mg(HPd)2 ZnPd H2
2025-05-27 08:03:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007169017).
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 agm007169017
data_agm007169017
_cell_length_a 5.00140
_cell_length_b 4.83095
_cell_length_c 6.36394
_cell_angle_alpha 103.21609
_cell_angle_beta 104.39640
_cell_angle_gamma 111.84428
_cell_volume 129.12061
_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 0.26933 0.55983 0.58101 1.00000
Zn1 Zn 0.94837 0.74122 0.93432 1.00000
H1 H 0.89159 0.60037 0.17806 1.00000
H2 H 0.24616 0.12047 0.17526 1.00000
H3 H 0.09260 0.48893 0.82925 1.00000
H4 H 0.43901 0.80954 0.38453 1.00000
H5 H 0.51622 0.25928 0.59332 1.00000
H6 H 0.03709 0.87641 0.59573 1.00000
H7 H 0.90507 0.11741 0.38495 1.00000
H8 H 0.68982 0.88047 0.83089 1.00000
Pd1 Pd 0.16955 0.96062 0.37877 1.00000
Pd2 Pd 0.79519 0.08545 0.63391 1.00000
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