AgH3Pd2
Alexandria ALEXAlex-ID: agm005700331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1274_spg12
AgHPd H4Pd HPd
2023-07-09 23:50:42.967289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005700331).
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 agm005700331
data_agm005700331
_cell_length_a 3.06006
_cell_length_b 5.48112
_cell_length_c 7.88560
_cell_angle_alpha 69.38848
_cell_angle_beta 79.67368
_cell_angle_gamma 74.02823
_cell_volume 118.51659
_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
Ag1 Ag 0.15996 0.75445 0.92118 1.00000
Ag2 Ag 0.84004 0.24555 0.07882 1.00000
H1 H 0.66411 0.10114 0.57424 1.00000
H2 H 0.99211 0.35506 0.64979 1.00000
H3 H 0.34680 0.59919 0.72043 1.00000
H4 H 0.65320 0.40081 0.27957 1.00000
H5 H 0.00789 0.64494 0.35021 1.00000
H6 H 0.33589 0.89886 0.42576 1.00000
Pd1 Pd 0.49478 0.23532 0.77128 1.00000
Pd2 Pd 0.50522 0.76468 0.22872 1.00000
Pd3 Pd 0.16365 0.25444 0.41900 1.00000
Pd4 Pd 0.83635 0.74556 0.58100 1.00000
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