K(LiPb)2
Alexandria ALEXAlex-ID: agm003394615 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1397_spg70
Li2Pb K3LiPb4 Li8Pb3
2022-02-11 02:16:41.082330
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003394615).
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 agm003394615
data_agm003394615
_cell_length_a 5.73521
_cell_length_b 6.67064
_cell_length_c 9.09930
_cell_angle_alpha 82.33406
_cell_angle_beta 71.55853
_cell_angle_gamma 64.73219
_cell_volume 298.64320
_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
K1 K 0.87629 0.74943 0.24962 1.00000
K2 K 0.12371 0.25057 0.75038 1.00000
Li1 Li 0.48780 0.74899 0.02697 1.00000
Li2 Li 0.73574 0.25048 0.52669 1.00000
Li3 Li 0.51220 0.25101 0.97303 1.00000
Li4 Li 0.26426 0.74952 0.47331 1.00000
Pb1 Pb 0.56132 0.37931 0.24964 1.00000
Pb2 Pb 0.80880 0.88052 0.74937 1.00000
Pb3 Pb 0.19120 0.11948 0.25063 1.00000
Pb4 Pb 0.43868 0.62069 0.75036 1.00000
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