Hf2Ti4In5
Alexandria ALEXAlex-ID: agm003364243 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_152_spg71
TiIn Hf2In
2022-02-05 18:06:08.037709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364243).
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 agm003364243
data_agm003364243
_cell_length_a 5.59601
_cell_length_b 7.11005
_cell_length_c 7.10836
_cell_angle_alpha 73.52411
_cell_angle_beta 66.81995
_cell_angle_gamma 66.82576
_cell_volume 236.22816
_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 0.26470 0.73532 0.73528 1.00000
Hf2 Hf 0.73530 0.26468 0.26472 1.00000
Ti1 Ti 0.24287 0.08482 0.42944 1.00000
Ti2 Ti 0.75713 0.91518 0.57056 1.00000
Ti3 Ti 0.75714 0.57049 0.91524 1.00000
Ti4 Ti 0.24286 0.42951 0.08476 1.00000
In1 In 0.25197 0.18676 0.81327 1.00000
In2 In 0.74803 0.81324 0.18673 1.00000
In3 In 0.00000 0.50000 0.50000 1.00000
In4 In 0.74800 0.18676 0.81327 1.00000
In5 In 0.25200 0.81324 0.18673 1.00000
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