Li8(InPb)3
Alexandria ALEXAlex-ID: agm005695878 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Li8Pb3 Li6InPb5 LiIn
2023-06-29 10:36:02.222915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695878).
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 agm005695878
data_agm005695878
_cell_length_a 4.78752
_cell_length_b 8.83742
_cell_length_c 8.69271
_cell_angle_alpha 120.55225
_cell_angle_beta 105.98439
_cell_angle_gamma 90.00001
_cell_volume 300.09213
_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 0.37276 0.10378 0.74552 1.00000
Li2 Li 0.62724 0.89622 0.25448 1.00000
Li3 Li 0.37276 0.64175 0.74552 1.00000
Li4 Li 0.62724 0.35825 0.25448 1.00000
Li5 Li 0.18799 0.83948 0.37598 1.00000
Li6 Li 0.81201 0.16052 0.62402 1.00000
Li7 Li 0.18799 0.53650 0.37598 1.00000
Li8 Li 0.81201 0.46350 0.62402 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 1.00000 0.77580 0.00000 1.00000
In3 In 0.00000 0.22420 1.00000 1.00000
Pb1 Pb 0.50000 0.50000 0.00000 1.00000
Pb2 Pb 0.20973 0.20973 0.41946 1.00000
Pb3 Pb 0.79027 0.79027 0.58054 1.00000
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