Ti2Zn2Cu
Alexandria ALEXAlex-ID: agm040282918 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_114_spg10
TiZn TiZnCu2
2025-04-16 18:31:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040282918).
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 agm040282918
data_agm040282918
_cell_length_a 9.61176
_cell_length_b 9.61176
_cell_length_c 9.61176
_cell_angle_alpha 163.11496
_cell_angle_beta 163.11496
_cell_angle_gamma 23.96710
_cell_volume 74.89505
_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 0.80401 0.80401 0.00000 1.00000
Ti2 Ti 0.19599 0.19599 0.00000 1.00000
Zn1 Zn 0.58722 0.58722 0.00000 1.00000
Zn2 Zn 0.41278 0.41278 0.00000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Get direct link