SiPAu
Alexandria ALEXAlex-ID: agm003601005 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7869_spg11
SiPAu
2022-03-10 02:27:10.862979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003601005).
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 agm003601005
data_agm003601005
_cell_length_a 3.53857
_cell_length_b 5.30385
_cell_length_c 6.51050
_cell_angle_alpha 70.76404
_cell_angle_beta 90.01126
_cell_angle_gamma 90.00277
_cell_volume 115.36738
_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 0.04105 0.72926 0.68521 1.00000
Si2 Si 0.54146 0.36483 0.11480 1.00000
P1 P 0.04149 0.66254 0.06120 1.00000
P2 P 0.54106 0.43154 0.73882 1.00000
Au1 Au 0.54168 0.13710 0.53555 1.00000
Au2 Au 0.04109 0.95698 0.26448 1.00000
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