Ag3HgPd3
Alexandria ALEXAlex-ID: agm005897034 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_629_spg161
AgHgPd2 Ag2Pd
2023-08-06 12:01:34.040291
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005897034).
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 agm005897034
data_agm005897034
_cell_length_a 6.56485
_cell_length_b 6.56485
_cell_length_c 6.56485
_cell_angle_alpha 101.59203
_cell_angle_beta 101.59203
_cell_angle_gamma 101.59203
_cell_volume 262.77868
_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 0.30019 0.46416 0.89073 1.00000
Ag2 Ag 0.39073 0.96416 0.80019 1.00000
Ag3 Ag 0.80019 0.39073 0.96416 1.00000
Ag4 Ag 0.46416 0.89073 0.30019 1.00000
Ag5 Ag 0.89073 0.30019 0.46416 1.00000
Ag6 Ag 0.96416 0.80019 0.39073 1.00000
Hg1 Hg 0.57693 0.57693 0.57693 1.00000
Hg2 Hg 0.07693 0.07693 0.07693 1.00000
Pd1 Pd 0.00945 0.69034 0.78428 1.00000
Pd2 Pd 0.28428 0.19034 0.50945 1.00000
Pd3 Pd 0.19034 0.50945 0.28428 1.00000
Pd4 Pd 0.78428 0.00945 0.69034 1.00000
Pd5 Pd 0.50945 0.28428 0.19034 1.00000
Pd6 Pd 0.69034 0.78428 0.00945 1.00000
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