Dy3Si3Au
Alexandria ALEXAlex-ID: agm045307291 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_2358_spg12
DySiAu DySi
2025-03-07 12:42:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045307291).
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 agm045307291
data_agm045307291
_cell_length_a 5.69501
_cell_length_b 5.69501
_cell_length_c 13.75221
_cell_angle_alpha 71.12148
_cell_angle_beta 108.87852
_cell_angle_gamma 135.65040
_cell_volume 292.13743
_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
Dy1 Dy 0.52962 0.47038 0.37541 1.00000
Dy2 Dy 0.47038 0.52962 0.62459 1.00000
Dy3 Dy 0.25816 0.74184 0.77958 1.00000
Dy4 Dy 0.74184 0.25816 0.22042 1.00000
Dy5 Dy 0.39420 0.60580 0.07429 1.00000
Dy6 Dy 0.60580 0.39420 0.92571 1.00000
Si1 Si 0.87726 0.12274 0.45731 1.00000
Si2 Si 0.12274 0.87726 0.54269 1.00000
Si3 Si 0.10992 0.89008 0.07419 1.00000
Si4 Si 0.89008 0.10992 0.92581 1.00000
Si5 Si 0.97158 0.02842 0.77610 1.00000
Si6 Si 0.02842 0.97158 0.22390 1.00000
Au1 Au 0.75461 0.24539 0.60927 1.00000
Au2 Au 0.24539 0.75461 0.39073 1.00000
Get direct link