Li4Pd2Pb3
Alexandria ALEXAlex-ID: agm005643308 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_899_spg2
Li3(PdPb)2 LiPb
2023-06-27 09:52:59.780320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643308).
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 agm005643308
data_agm005643308
_cell_length_a 4.58615
_cell_length_b 5.72174
_cell_length_c 7.83016
_cell_angle_alpha 117.61966
_cell_angle_beta 107.02873
_cell_angle_gamma 90.00000
_cell_volume 171.82337
_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
Li1 Li 0.42110 0.21643 0.84221 1.00000
Li2 Li 0.21057 0.20774 0.42114 1.00000
Li3 Li 0.57890 0.78357 0.15779 1.00000
Li4 Li 0.78943 0.79226 0.57886 1.00000
Pd1 Pd 0.62029 0.30915 0.24057 1.00000
Pd2 Pd 0.37971 0.69085 0.75943 1.00000
Pb1 Pb 0.16839 0.65538 0.33678 1.00000
Pb2 Pb 0.83161 0.34462 0.66322 1.00000
Pb3 Pb 0.00000 0.00000 0.00000 1.00000
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