Zr5(TiSb2)2
Alexandria ALEXAlex-ID: agm003362016 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_4_spg71
ZrTiSb Zr5Sb3 ZrSb
2022-02-05 18:09:08.138751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003362016).
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 agm003362016
data_agm003362016
_cell_length_a 3.62921
_cell_length_b 7.54211
_cell_length_c 10.31287
_cell_angle_alpha 111.41948
_cell_angle_beta 100.13425
_cell_angle_gamma 90.00000
_cell_volume 258.04896
_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
Zr1 Zr 0.15380 0.92642 0.30760 1.00000
Zr2 Zr 0.84620 0.07358 0.69240 1.00000
Zr3 Zr 0.15393 0.38163 0.30785 1.00000
Zr4 Zr 0.50000 0.00000 0.00000 1.00000
Zr5 Zr 0.84607 0.61837 0.69215 1.00000
Ti1 Ti 0.57649 0.57647 0.15298 1.00000
Ti2 Ti 0.42351 0.42353 0.84702 1.00000
Sb1 Sb 0.72206 0.72222 0.44412 1.00000
Sb2 Sb 0.99995 0.70766 0.99991 1.00000
Sb3 Sb 0.27794 0.27778 0.55588 1.00000
Sb4 Sb 0.00005 0.29234 0.00009 1.00000
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