TaTi4Fe
Alexandria ALEXAlex-ID: agm005773665 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_684_spg1
TiFe Ta Ti
2023-07-31 13:31:20.207172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773665).
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 agm005773665
data_agm005773665
_cell_length_a 4.47575
_cell_length_b 5.20019
_cell_length_c 5.30341
_cell_angle_alpha 62.70047
_cell_angle_beta 65.04102
_cell_angle_gamma 64.51056
_cell_volume 95.05061
_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
Ta1 Ta 0.00000 0.50000 0.50000 1.00000
Ti1 Ti 0.65118 0.00776 0.68987 1.00000
Ti2 Ti 0.34882 0.99224 0.31013 1.00000
Ti3 Ti 0.69890 0.44240 0.15980 1.00000
Ti4 Ti 0.30110 0.55760 0.84020 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
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