Ag5(HgPd2)2
Alexandria ALEXAlex-ID: agm005656146 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_663_spg12
AgHgPd2 Ag
2023-06-22 08:40:12.513547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656146).
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 agm005656146
data_agm005656146
_cell_length_a 2.89874
_cell_length_b 7.74255
_cell_length_c 11.07736
_cell_angle_alpha 59.31046
_cell_angle_beta 97.51847
_cell_angle_gamma 90.00033
_cell_volume 211.30758
_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 0.87638 0.06535 0.75276 1.00000
Ag2 Ag 0.12362 0.93465 0.24724 1.00000
Ag3 Ag 0.74873 0.66456 0.49746 1.00000
Ag4 Ag 0.50000 0.00000 0.00000 1.00000
Ag5 Ag 0.25127 0.33544 0.50254 1.00000
Hg1 Hg 0.13023 0.28559 0.26047 1.00000
Hg2 Hg 0.86977 0.71441 0.73953 1.00000
Pd1 Pd 0.37402 0.38760 0.74803 1.00000
Pd2 Pd 0.99639 0.32277 0.99278 1.00000
Pd3 Pd 0.62598 0.61240 0.25197 1.00000
Pd4 Pd 0.00361 0.67723 0.00722 1.00000
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