Li4Cd4Pb3
Alexandria ALEXAlex-ID: agm005694853 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_105_spg12
LiCd3 Pb LiPb
2023-06-29 21:58:29.952852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694853).
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 agm005694853
data_agm005694853
_cell_length_a 3.26677
_cell_length_b 4.81854
_cell_length_c 16.43594
_cell_angle_alpha 81.40229
_cell_angle_beta 84.93840
_cell_angle_gamma 90.29297
_cell_volume 254.77046
_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 0.56704 0.54843 0.89954 1.00000
Li2 Li 0.43299 0.45160 0.10046 1.00000
Li3 Li 0.30527 0.82485 0.35747 1.00000
Li4 Li 0.69476 0.17517 0.64253 1.00000
Cd1 Cd 0.11239 0.08763 0.81355 1.00000
Cd2 Cd 0.25870 0.26083 0.47983 1.00000
Cd3 Cd 0.74133 0.73920 0.52017 1.00000
Cd4 Cd 0.88763 0.91239 0.18645 1.00000
Pb1 Pb 0.16967 0.64593 0.69943 1.00000
Pb2 Pb 0.83036 0.35409 0.30057 1.00000
Pb3 Pb 0.00001 0.00001 1.00000 1.00000
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