Sc4SiSb
Alexandria ALEXAlex-ID: agm003754875 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
Sc5Si3 Sc2Sb Sc
2022-04-19 01:54:50.001703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003754875).
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 agm003754875
data_agm003754875
_cell_length_a 5.60027
_cell_length_b 7.81038
_cell_length_c 7.46277
_cell_angle_alpha 114.04777
_cell_angle_beta 102.34076
_cell_angle_gamma 107.97499
_cell_volume 260.99128
_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
Sc1 Sc 0.04723 0.20657 0.83238 1.00000
Sc2 Sc 0.77930 0.71220 0.63750 1.00000
Sc3 Sc 0.28515 0.62581 0.83238 1.00000
Sc4 Sc 0.35820 0.92529 0.63750 1.00000
Sc5 Sc 0.64180 0.07471 0.36250 1.00000
Sc6 Sc 0.71485 0.37419 0.16762 1.00000
Sc7 Sc 0.22070 0.28780 0.36250 1.00000
Sc8 Sc 0.95277 0.79343 0.16762 1.00000
Si1 Si 0.25103 0.00103 0.00207 1.00000
Si2 Si 0.74897 0.99897 0.99793 1.00000
Sb1 Sb 0.36993 0.61993 0.23986 1.00000
Sb2 Sb 0.63007 0.38007 0.76014 1.00000
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