Ti2Zn5Fe2
Alexandria ALEXAlex-ID: agm009852800 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_220_spg12
TiFe2 Ti3Zn22 TiFe
2024-04-20 05:09:46.524945
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009852800).
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 agm009852800
data_agm009852800
_cell_length_a 6.54083
_cell_length_b 6.54083
_cell_length_c 7.00577
_cell_angle_alpha 68.22392
_cell_angle_beta 68.22392
_cell_angle_gamma 26.79501
_cell_volume 124.90468
_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 0.44902 0.44902 0.35098 1.00000
Ti2 Ti 0.55098 0.55098 0.64902 1.00000
Zn1 Zn 0.33527 0.33527 0.99062 1.00000
Zn2 Zn 0.66473 0.66473 0.00938 1.00000
Zn3 Zn 0.23008 0.23008 0.67064 1.00000
Zn4 Zn 0.76992 0.76992 0.32936 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.10418 0.10418 0.34100 1.00000
Fe2 Fe 0.89582 0.89582 0.65900 1.00000
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