Ti2Ga3Cu
Alexandria ALEXAlex-ID: agm012114740 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
Ti2Ga3Cu
2025-04-13 17:52:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012114740).
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 agm012114740
data_agm012114740
_cell_length_a 5.15924
_cell_length_b 5.15924
_cell_length_c 5.15924
_cell_angle_alpha 131.64632
_cell_angle_beta 110.21163
_cell_angle_gamma 89.42594
_cell_volume 91.45829
_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 0.24868 0.50045 0.74823 1.00000
Ti2 Ti 0.75222 0.50045 0.25177 1.00000
Ga1 Ga 0.65539 0.15539 0.50000 1.00000
Ga2 Ga 0.17664 0.17664 0.00000 1.00000
Ga3 Ga 0.83587 0.83587 0.00000 1.00000
Cu1 Cu 0.33017 0.83017 0.50000 1.00000
