AgHgPd3
Alexandria ALEXAlex-ID: agm017208385 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1025_spg2
AgHgPd2 HgPd3 AgPd
2025-02-21 22:05:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017208385).
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 agm017208385
data_agm017208385
_cell_length_a 7.66194
_cell_length_b 7.66194
_cell_length_c 4.92711
_cell_angle_alpha 84.91614
_cell_angle_beta 95.08386
_cell_angle_gamma 37.38644
_cell_volume 168.78122
_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 0.85259 0.85259 0.25000 1.00000
Ag2 Ag 0.14741 0.14741 0.75000 1.00000
Hg1 Hg 0.35160 0.35160 0.75000 1.00000
Hg2 Hg 0.64840 0.64840 0.25000 1.00000
Pd1 Pd 0.54975 0.54975 0.75000 1.00000
Pd2 Pd 0.75020 0.75020 0.75000 1.00000
Pd3 Pd 0.04901 0.04901 0.25000 1.00000
Pd4 Pd 0.95099 0.95099 0.75000 1.00000
Pd5 Pd 0.45025 0.45025 0.25000 1.00000
Pd6 Pd 0.24980 0.24980 0.25000 1.00000
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