Ti4Zn2In3
Alexandria ALEXAlex-ID: agm005642816 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
TiZn Ti2In5 TiIn
2023-06-30 22:17:08.576824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642816).
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 agm005642816
data_agm005642816
_cell_length_a 5.11851
_cell_length_b 4.02494
_cell_length_c 9.00133
_cell_angle_alpha 90.00394
_cell_angle_beta 104.69645
_cell_angle_gamma 113.14158
_cell_volume 163.90143
_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 0.64788 0.32393 0.11033 1.00000
Ti2 Ti 0.02961 0.01478 0.67995 1.00000
Ti3 Ti 0.97039 0.98522 0.32005 1.00000
Ti4 Ti 0.35212 0.67607 0.88967 1.00000
Zn1 Zn 0.30547 0.65272 0.20928 1.00000
Zn2 Zn 0.69453 0.34728 0.79072 1.00000
In1 In 0.33923 0.66952 0.56078 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.66077 0.33048 0.43922 1.00000
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