HfTi2In3
Alexandria ALEXAlex-ID: agm014107382 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1013_spg15
Hf2In5 TiIn Hf2In
2024-11-13 21:55:26.772303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014107382).
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 agm014107382
data_agm014107382
_cell_length_a 8.04883
_cell_length_b 8.04883
_cell_length_c 8.04883
_cell_angle_alpha 148.91235
_cell_angle_beta 114.79244
_cell_angle_gamma 73.99563
_cell_volume 240.52671
_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 0.08533 0.83533 0.25000 1.00000
Hf2 Hf 0.91467 0.16467 0.75000 1.00000
Ti1 Ti 0.41529 0.16529 0.25000 1.00000
Ti2 Ti 0.74918 0.49918 0.25000 1.00000
Ti3 Ti 0.58471 0.83471 0.75000 1.00000
Ti4 Ti 0.25082 0.50082 0.75000 1.00000
In1 In 0.65810 0.66568 0.99241 1.00000
In2 In 0.82673 0.33432 0.49241 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
In4 In 0.34190 0.33432 0.00759 1.00000
In5 In 0.50000 0.00000 0.50000 1.00000
In6 In 0.17327 0.66568 0.50759 1.00000
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