LiAc5Pb6
Alexandria ALEXAlex-ID: agm003677513 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Li4Ac3Pb4 Ac3Pb4 Ac5Pb4
2022-04-09 23:29:31.757981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677513).
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 agm003677513
data_agm003677513
_cell_length_a 5.30086
_cell_length_b 10.80932
_cell_length_c 9.85034
_cell_angle_alpha 56.72368
_cell_angle_beta 74.42037
_cell_angle_gamma 60.69231
_cell_volume 411.47028
_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 0.00000 0.00000 0.00000 1.00000
Ac1 Ac 0.50000 0.15066 0.69868 1.00000
Ac2 Ac 1.00000 0.32973 0.34053 1.00000
Ac3 Ac 0.50000 0.50000 0.00000 1.00000
Ac4 Ac 0.00000 0.67027 0.65947 1.00000
Ac5 Ac 0.50000 0.84934 0.30132 1.00000
Pb1 Pb 0.75137 0.08389 0.32941 1.00000
Pb2 Pb 0.24863 0.58670 0.32941 1.00000
Pb3 Pb 0.25277 0.24749 1.00000 1.00000
Pb4 Pb 0.74723 0.75251 0.00000 1.00000
Pb5 Pb 0.75137 0.41330 0.67059 1.00000
Pb6 Pb 0.24863 0.91611 0.67059 1.00000
Get direct link