LiSi3(PbAu6)2
Alexandria ALEXAlex-ID: agm004496366 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
SiPbAu3 LiSiAu3 Au
2022-06-20 09:17:57.583877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004496366).
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 agm004496366
data_agm004496366
_cell_length_a 7.65036
_cell_length_b 7.65036
_cell_length_c 7.65036
_cell_angle_alpha 72.09866
_cell_angle_beta 72.09866
_cell_angle_gamma 72.09866
_cell_volume 394.08929
_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
Si1 Si 0.50000 0.00000 0.00000 1.00000
Si2 Si 0.00000 0.50000 0.00000 1.00000
Si3 Si 0.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.60040 0.60040 0.60040 1.00000
Pb2 Pb 0.39960 0.39960 0.39960 1.00000
Au1 Au 0.30007 0.30007 0.85029 1.00000
Au2 Au 0.84939 0.84939 0.37134 1.00000
Au3 Au 0.37134 0.84939 0.84939 1.00000
Au4 Au 0.85029 0.30007 0.30007 1.00000
Au5 Au 0.84939 0.37134 0.84939 1.00000
Au6 Au 0.30007 0.85029 0.30007 1.00000
Au7 Au 0.69993 0.69993 0.14971 1.00000
Au8 Au 0.15061 0.15061 0.62866 1.00000
Au9 Au 0.62866 0.15061 0.15061 1.00000
Au10 Au 0.14971 0.69993 0.69993 1.00000
Au11 Au 0.15061 0.62866 0.15061 1.00000
Au12 Au 0.69993 0.14971 0.69993 1.00000
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