Ti5Ga4Fe7
Alexandria ALEXAlex-ID: agm008564752 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C7_1_spg160
Ti2GaFe3 Ti11Ga9Fe4 TiGaFe2
2024-05-13 06:44:40.429033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564752).
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 agm008564752
data_agm008564752
_cell_length_a 13.95644
_cell_length_b 13.95644
_cell_length_c 13.95644
_cell_angle_alpha 17.08318
_cell_angle_beta 17.08318
_cell_angle_gamma 17.08318
_cell_volume 204.66529
_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 0.44357 0.44357 0.44357 1.00000
Ti2 Ti 0.68311 0.68311 0.68311 1.00000
Ti3 Ti 0.93701 0.93701 0.93701 1.00000
Ti4 Ti 0.18876 0.18876 0.18876 1.00000
Ti5 Ti 0.74856 0.74856 0.74856 1.00000
Ga1 Ga 0.31168 0.31168 0.31168 1.00000
Ga2 Ga 0.56326 0.56326 0.56326 1.00000
Ga3 Ga 0.81517 0.81517 0.81517 1.00000
Ga4 Ga 0.05765 0.05765 0.05765 1.00000
Fe1 Fe 0.12587 0.12587 0.12587 1.00000
Fe2 Fe 0.37536 0.37536 0.37536 1.00000
Fe3 Fe 0.62414 0.62414 0.62414 1.00000
Fe4 Fe 0.87574 0.87574 0.87574 1.00000
Fe5 Fe 0.99724 0.99724 0.99724 1.00000
Fe6 Fe 0.25010 0.25010 0.25010 1.00000
Fe7 Fe 0.50279 0.50279 0.50279 1.00000
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