TiGaCo
Alexandria ALEXAlex-ID: agm005641898 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_678_spg160
Ti8Ga15Co7 Ti5(Ga2Co)2 TiGaCo2
2023-06-19 12:47:51.293833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641898).
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 agm005641898
data_agm005641898
_cell_length_a 4.09898
_cell_length_b 4.09918
_cell_length_c 6.36073
_cell_angle_alpha 89.99011
_cell_angle_beta 108.80119
_cell_angle_gamma 120.01059
_cell_volume 85.90248
_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 0.05720 0.16198 0.21919 1.00000
Ti2 Ti 0.71670 0.99161 0.70832 1.00000
Ga1 Ga 0.56050 0.41359 0.97408 1.00000
Ga2 Ga 0.88747 0.57699 0.46444 1.00000
Co1 Co 0.16226 0.71449 0.87675 1.00000
Co2 Co 0.43335 0.85002 0.28336 1.00000
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