SiSb3
Alexandria ALEXAlex-ID: agm005493664 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_968_spg139
Sb Si
2023-03-19 04:20:42.913722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493664).
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 agm005493664
data_agm005493664
_cell_length_a 10.33875
_cell_length_b 10.33875
_cell_length_c 10.33875
_cell_angle_alpha 154.01759
_cell_angle_beta 154.01759
_cell_angle_gamma 37.07404
_cell_volume 211.79983
_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 0.66482 0.66482 0.00000 1.00000
Si2 Si 0.33518 0.33518 0.00000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.50000 0.00000 0.50000 1.00000
Sb3 Sb 0.75000 0.25000 0.50000 1.00000
Sb4 Sb 0.25000 0.75000 0.50000 1.00000
Sb5 Sb 0.88926 0.88926 0.00000 1.00000
Sb6 Sb 0.11074 0.11074 0.00000 1.00000
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