TiGaSi
Alexandria ALEXAlex-ID: agm003604841 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_678_spg160
TiGa3 TiSi2 TiSi
2022-03-10 03:09:29.766056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604841).
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 agm003604841
data_agm003604841
_cell_length_a 3.91468
_cell_length_b 3.91509
_cell_length_c 7.88840
_cell_angle_alpha 75.59177
_cell_angle_beta 75.59341
_cell_angle_gamma 59.98464
_cell_volume 100.27357
_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 0.45529 0.07619 0.71412 1.00000
Ti2 Ti 0.58650 0.20744 0.32225 1.00000
Ga1 Ga 0.32828 0.94924 0.09446 1.00000
Ga2 Ga 0.04270 0.66343 0.95145 1.00000
Si1 Si 0.85460 0.47549 0.51740 1.00000
Si2 Si 0.18636 0.80729 0.52143 1.00000
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