Ag2H7Pd
Alexandria ALEXAlex-ID: agm006200331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
H4Pd Ag H2
2023-12-01 00:14:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200331).
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 agm006200331
data_agm006200331
_cell_length_a 4.91885
_cell_length_b 4.96892
_cell_length_c 5.83380
_cell_angle_alpha 115.60448
_cell_angle_beta 61.94556
_cell_angle_gamma 121.08907
_cell_volume 104.32325
_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
H1 H 0.14537 0.69271 0.21705 1.00000
H2 H 0.80166 0.01903 0.77641 1.00000
H3 H 0.35678 0.34507 0.80298 1.00000
H4 H 0.91581 0.14445 0.19060 1.00000
H5 H 0.47076 0.85452 0.49709 1.00000
H6 H 0.59007 0.36642 0.19043 1.00000
H7 H 0.03135 0.56734 0.80301 1.00000
Pd1 Pd 0.97350 0.35585 0.99680 1.00000
Ag1 Ag 0.36953 0.98858 0.84610 1.00000
Ag2 Ag 0.57756 0.72342 0.14769 1.00000
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