Pd7PbAu4
Alexandria ALEXAlex-ID: agm003667390 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Pd3Pb PdAu
2022-04-20 12:37:07.000266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667390).
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 agm003667390
data_agm003667390
_cell_length_a 5.01881
_cell_length_b 9.00261
_cell_length_c 5.69522
_cell_angle_alpha 84.30714
_cell_angle_beta 63.85679
_cell_angle_gamma 73.81486
_cell_volume 221.75999
_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
Pd1 Pd 0.79740 0.91562 0.48959 1.00000
Pd2 Pd 0.20260 0.08438 0.51041 1.00000
Pd3 Pd 0.03615 0.61703 0.31068 1.00000
Pd4 Pd 0.96385 0.38297 0.68932 1.00000
Pd5 Pd 0.34372 0.54268 0.76988 1.00000
Pd6 Pd 0.50000 0.00000 0.00000 1.00000
Pd7 Pd 0.65628 0.45732 0.23012 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.58589 0.23054 0.59767 1.00000
Au2 Au 0.41411 0.76946 0.40233 1.00000
Au3 Au 0.72729 0.68731 0.85811 1.00000
Au4 Au 0.27271 0.31269 0.14189 1.00000
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