Ti5Ga2Tc
Alexandria ALEXAlex-ID: agm005961383 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_257_spg139
Ti3GaTc2 Ti3Ga Ti2Ga
2023-09-05 13:44:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961383).
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
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# CIF generated by HEAS from Alexandria entry agm005961383
data_agm005961383
_cell_length_a 4.62192
_cell_length_b 4.62193
_cell_length_c 6.77739
_cell_angle_alpha 109.93668
_cell_angle_beta 109.93668
_cell_angle_gamma 89.99997
_cell_volume 126.83439
_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 0.50000 0.50000 0.00000 1.00000
Ti2 Ti 0.87938 0.37938 0.75876 1.00000
Ti3 Ti 0.37938 0.87938 0.75876 1.00000
Ti4 Ti 0.12062 0.62062 0.24124 1.00000
Ti5 Ti 0.62062 0.12062 0.24124 1.00000
Ga1 Ga 0.75040 0.75040 0.50081 1.00000
Ga2 Ga 0.24960 0.24960 0.49919 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
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