Ti6Si2Sb
Alexandria ALEXAlex-ID: agm005694807 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Ti6SiSb2 Ti5Si3 Ti
2023-07-09 13:45:04.730931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694807).
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 agm005694807
data_agm005694807
_cell_length_a 7.37740
_cell_length_b 7.37740
_cell_length_c 7.37740
_cell_angle_alpha 99.86686
_cell_angle_beta 114.24122
_cell_angle_gamma 114.71226
_cell_volume 302.73312
_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
Ti1 Ti 0.49932 0.29547 0.20385 1.00000
Ti2 Ti 0.50068 0.70453 0.79615 1.00000
Ti3 Ti 0.90838 0.70453 0.20385 1.00000
Ti4 Ti 0.09162 0.29547 0.79615 1.00000
Ti5 Ti 0.20793 0.75028 0.95822 1.00000
Ti6 Ti 0.79207 0.24972 0.04178 1.00000
Ti7 Ti 0.79207 0.75028 0.54235 1.00000
Ti8 Ti 0.20793 0.24972 0.45765 1.00000
Ti9 Ti 0.29410 0.96866 0.67456 1.00000
Ti10 Ti 0.70590 0.03134 0.32544 1.00000
Ti11 Ti 0.70590 0.38047 0.67456 1.00000
Ti12 Ti 0.29410 0.61953 0.32544 1.00000
Si1 Si 0.50000 0.37440 0.87440 1.00000
Si2 Si 0.50000 0.62560 0.12560 1.00000
Si3 Si 0.35045 1.00000 0.35045 1.00000
Si4 Si 0.64955 0.00000 0.64955 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Get direct link