Si2Au7
Alexandria ALEXAlex-ID: agm003221815 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_3_spg63
SiAu Au
2021-12-16 01:12:48.667156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003221815).
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 agm003221815
data_agm003221815
_cell_length_a 11.94879
_cell_length_b 5.18634
_cell_length_c 5.84164
_cell_angle_alpha 63.64629
_cell_angle_beta 90.00072
_cell_angle_gamma 90.00161
_cell_volume 324.38644
_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
Au1 Au 0.24997 0.52306 1.00000 1.00000
Au2 Au 0.75003 0.47694 0.00000 1.00000
Au3 Au 0.93576 0.39933 0.71997 1.00000
Au4 Au 0.06424 0.88070 0.71997 1.00000
Au5 Au 0.06424 0.60067 0.28003 1.00000
Au6 Au 0.93576 0.11930 0.28003 1.00000
Au7 Au 0.56412 0.39953 0.72010 1.00000
Au8 Au 0.43588 0.88037 0.72010 1.00000
Au9 Au 0.43588 0.60047 0.27990 1.00000
Au10 Au 0.56412 0.11963 0.27990 1.00000
Au11 Au 0.74994 0.70494 0.38515 1.00000
Au12 Au 0.25006 0.90991 0.38515 1.00000
Au13 Au 0.25006 0.29506 0.61485 1.00000
Au14 Au 0.74994 0.09009 0.61485 1.00000
Si1 Si 0.61024 0.84819 0.00000 1.00000
Si2 Si 0.38976 0.15181 1.00000 1.00000
Si3 Si 0.88997 0.84749 1.00000 1.00000
Si4 Si 0.11003 0.15251 0.00000 1.00000
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