Ag(Hg3Pd)2
Alexandria ALEXAlex-ID: agm005644496 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3137_spg12
Hg2Pd Ag Hg
2023-07-09 05:03:28.659001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644496).
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 agm005644496
data_agm005644496
_cell_length_a 4.31572
_cell_length_b 7.19944
_cell_length_c 6.92935
_cell_angle_alpha 74.98281
_cell_angle_beta 71.85582
_cell_angle_gamma 72.55884
_cell_volume 191.89780
_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 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.94788 0.20779 0.89644 1.00000
Hg2 Hg 0.28581 0.21513 0.21324 1.00000
Hg3 Hg 0.71419 0.78487 0.78676 1.00000
Hg4 Hg 0.37223 0.81118 0.44436 1.00000
Hg5 Hg 0.62777 0.18882 0.55564 1.00000
Hg6 Hg 0.05212 0.79221 0.10356 1.00000
Pd1 Pd 0.34277 0.49522 0.81924 1.00000
Pd2 Pd 0.65723 0.50478 0.18076 1.00000
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