Pd4Pb
Alexandria ALEXAlex-ID: agm005544565 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_112_spg74
Pd3Pb Pd
2023-05-29 01:28:40.258008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544565).
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 agm005544565
data_agm005544565
_cell_length_a 4.35495
_cell_length_b 5.65281
_cell_length_c 7.83757
_cell_angle_alpha 111.13845
_cell_angle_beta 106.13046
_cell_angle_gamma 90.00001
_cell_volume 171.79154
_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 0.10372 0.35372 0.20743 1.00000
Pd2 Pd 0.89628 0.64628 0.79257 1.00000
Pd3 Pd 0.50000 0.00000 0.00000 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
Pd5 Pd 0.69513 0.20351 0.39026 1.00000
Pd6 Pd 0.30487 0.79649 0.60974 1.00000
Pd7 Pd 0.30487 0.31325 0.60974 1.00000
Pd8 Pd 0.69513 0.68675 0.39026 1.00000
Pb1 Pb 0.89319 0.14319 0.78637 1.00000
Pb2 Pb 0.10681 0.85681 0.21363 1.00000
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