Ti5ZnSb3
Alexandria ALEXAlex-ID: agm058044014 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_8_spg193
Ti5ZnSb3
2024-10-02 10:32:28.645996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058044014).
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 agm058044014
data_agm058044014
_cell_length_a 8.19848
_cell_length_b 8.19848
_cell_length_c 5.54227
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 322.61563
_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 0.33333 0.66667 0.00000 1.00000
Ti2 Ti 0.66667 0.33333 0.50000 1.00000
Ti3 Ti 0.66667 0.33333 0.00000 1.00000
Ti4 Ti 0.33333 0.66667 0.50000 1.00000
Ti5 Ti 0.00000 0.72794 0.75000 1.00000
Ti6 Ti 0.72794 0.00000 0.75000 1.00000
Ti7 Ti 0.27206 0.27206 0.75000 1.00000
Ti8 Ti 0.00000 0.27206 0.25000 1.00000
Ti9 Ti 0.27206 0.00000 0.25000 1.00000
Ti10 Ti 0.72794 0.72794 0.25000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.00000 0.38337 0.75000 1.00000
Sb2 Sb 0.38337 0.00000 0.75000 1.00000
Sb3 Sb 0.61663 0.61663 0.75000 1.00000
Sb4 Sb 0.00000 0.61663 0.25000 1.00000
Sb5 Sb 0.61663 0.00000 0.25000 1.00000
Sb6 Sb 0.38337 0.38337 0.25000 1.00000
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