Hf6TaIn5
Alexandria ALEXAlex-ID: agm006111017 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
Hf2In5 Ta Hf2In
2023-09-17 00:43:31.281995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111017).
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 agm006111017
data_agm006111017
_cell_length_a 4.38346
_cell_length_b 8.65539
_cell_length_c 7.13435
_cell_angle_alpha 89.99679
_cell_angle_beta 72.08378
_cell_angle_gamma 89.98921
_cell_volume 257.55525
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.83598 0.75862 0.32772 1.00000
Hf2 Hf 0.83599 0.24138 0.32772 1.00000
Hf3 Hf 0.50000 0.23637 1.00000 1.00000
Hf4 Hf 0.50000 0.76363 0.00000 1.00000
Hf5 Hf 0.16401 0.75862 0.67228 1.00000
Hf6 Hf 0.16402 0.24138 0.67228 1.00000
In1 In 0.66739 0.50000 0.66519 1.00000
In2 In 0.33662 0.00000 0.32662 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66338 1.00000 0.67338 1.00000
In5 In 0.33261 0.50000 0.33481 1.00000
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