Ti2Zn3In
Alexandria ALEXAlex-ID: agm005666744 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2097_spg44
TiZn2 TiZn Ti2In5
2023-08-25 06:58:00.571256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666744).
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 agm005666744
data_agm005666744
_cell_length_a 2.92065
_cell_length_b 2.83582
_cell_length_c 12.83025
_cell_angle_alpha 96.34490
_cell_angle_beta 96.53550
_cell_angle_gamma 90.00001
_cell_volume 104.92003
_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 0.13044 0.13044 0.26089 1.00000
Ti2 Ti 0.86589 0.36589 0.73178 1.00000
Zn1 Zn 0.70518 0.70518 0.41035 1.00000
Zn2 Zn 0.55321 0.55321 0.10643 1.00000
Zn3 Zn 0.29124 0.79124 0.58248 1.00000
In1 In 0.45403 0.95403 0.90807 1.00000
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