Si3Pb3Au8
Alexandria ALEXAlex-ID: agm005686143 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
SiPbAu3 PbAu Si
2023-06-29 11:44:24.919256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686143).
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 agm005686143
data_agm005686143
_cell_length_a 4.36007
_cell_length_b 8.63755
_cell_length_c 9.30237
_cell_angle_alpha 62.80350
_cell_angle_beta 76.44655
_cell_angle_gamma 75.38100
_cell_volume 298.61502
_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
Si1 Si 0.00000 0.50000 0.50000 1.00000
Si2 Si 0.67532 0.64121 0.00815 1.00000
Si3 Si 0.32468 0.35879 0.99185 1.00000
Pb1 Pb 0.29191 0.79943 0.61674 1.00000
Pb2 Pb 0.70809 0.20057 0.38326 1.00000
Pb3 Pb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.10097 0.17298 0.62508 1.00000
Au2 Au 0.89903 0.82702 0.37492 1.00000
Au3 Au 0.84811 0.45610 0.84768 1.00000
Au4 Au 0.15189 0.54390 0.15232 1.00000
Au5 Au 0.53295 0.61471 0.31938 1.00000
Au6 Au 0.46705 0.38529 0.68062 1.00000
Au7 Au 0.36570 0.06128 0.20731 1.00000
Au8 Au 0.63430 0.93872 0.79269 1.00000
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