Hf5Ti2In5
Alexandria ALEXAlex-ID: agm005663380 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_88_spg12
Hf2In5 TiIn Hf2In
2023-06-19 09:18:50.806511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663380).
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 agm005663380
data_agm005663380
_cell_length_a 3.25752
_cell_length_b 7.91205
_cell_length_c 10.75170
_cell_angle_alpha 71.18330
_cell_angle_beta 81.28678
_cell_angle_gamma 78.12024
_cell_volume 255.59729
_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 0.82580 0.82943 0.51896 1.00000
Hf2 Hf 0.21919 0.78776 0.77386 1.00000
Hf3 Hf 0.78081 0.21224 0.22614 1.00000
Hf4 Hf 0.17420 0.17057 0.48104 1.00000
Hf5 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.88878 0.48592 0.73651 1.00000
Ti2 Ti 0.11122 0.51408 0.26349 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.34072 0.34898 0.96959 1.00000
In3 In 0.44119 0.85768 0.25994 1.00000
In4 In 0.55881 0.14232 0.74006 1.00000
In5 In 0.65928 0.65102 0.03041 1.00000
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