Hg(PdPb3)2
Alexandria ALEXAlex-ID: agm005705227 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
HgPdPb4 PdPb2
2023-07-09 04:05:39.447093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705227).
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 agm005705227
data_agm005705227
_cell_length_a 8.62732
_cell_length_b 8.62732
_cell_length_c 8.62732
_cell_angle_alpha 97.05127
_cell_angle_beta 116.41820
_cell_angle_gamma 115.61506
_cell_volume 477.45372
_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
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.12881 0.62881 1.00000
Pd2 Pd 0.50000 0.87119 0.37119 1.00000
Pd3 Pd 0.67209 0.67209 0.00000 1.00000
Pd4 Pd 0.32791 0.32791 1.00000 1.00000
Pb1 Pb 0.51355 0.80960 0.70395 1.00000
Pb2 Pb 0.48645 0.19040 0.29605 1.00000
Pb3 Pb 0.10565 0.80960 0.29605 1.00000
Pb4 Pb 0.89435 0.19040 0.70395 1.00000
Pb5 Pb 0.79591 0.04504 0.24913 1.00000
Pb6 Pb 0.20409 0.95496 0.75087 1.00000
Pb7 Pb 0.20409 0.45323 0.24913 1.00000
Pb8 Pb 0.79591 0.54677 0.75087 1.00000
Pb9 Pb 0.69211 0.33240 0.02451 1.00000
Pb10 Pb 0.30789 0.66760 0.97549 1.00000
Pb11 Pb 0.30789 0.33240 0.64029 1.00000
Pb12 Pb 0.69211 0.66760 0.35971 1.00000
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