Hf5TiSn3
Alexandria ALEXAlex-ID: agm003563009 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_275_spg140
Hf5Sn3 Hf3Ti2Sn3 Hf
2022-03-25 08:01:07.061629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563009).
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 agm003563009
data_agm003563009
_cell_length_a 7.33731
_cell_length_b 7.33731
_cell_length_c 9.08906
_cell_angle_alpha 113.80558
_cell_angle_beta 113.80558
_cell_angle_gamma 90.00000
_cell_volume 401.76645
_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
Hf1 Hf 0.05982 0.55982 0.72328 1.00000
Hf2 Hf 0.66345 0.16345 0.72328 1.00000
Hf3 Hf 0.16345 0.05982 0.72328 1.00000
Hf4 Hf 0.55982 0.66345 0.72328 1.00000
Hf5 Hf 0.94018 0.44018 0.27672 1.00000
Hf6 Hf 0.33655 0.83655 0.27672 1.00000
Hf7 Hf 0.83655 0.94018 0.27672 1.00000
Hf8 Hf 0.44018 0.33655 0.27672 1.00000
Hf9 Hf 0.50000 0.50000 0.00000 1.00000
Hf10 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.75000 0.25000 0.50000 1.00000
Ti2 Ti 0.25000 0.75000 0.50000 1.00000
Sn1 Sn 0.62745 0.12745 0.00000 1.00000
Sn2 Sn 0.37255 0.87256 1.00000 1.00000
Sn3 Sn 0.87255 0.62745 0.00000 1.00000
Sn4 Sn 0.12745 0.37255 1.00000 1.00000
Sn5 Sn 0.25000 0.25000 0.50000 1.00000
Sn6 Sn 0.75000 0.75000 0.50000 1.00000
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