Hf5AlTc6
Alexandria ALEXAlex-ID: agm006116464 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Hf6AlTc5 AlTc2 HfTc
2023-08-17 20:25:05.330393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116464).
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 agm006116464
data_agm006116464
_cell_length_a 4.56225
_cell_length_b 6.50173
_cell_length_c 7.90976
_cell_angle_alpha 114.26758
_cell_angle_beta 106.76222
_cell_angle_gamma 89.99907
_cell_volume 202.90638
_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 0.66025 0.16025 0.32051 1.00000
Hf2 Hf 0.33125 0.33125 0.66250 1.00000
Hf3 Hf 0.00000 0.50000 0.00000 1.00000
Hf4 Hf 0.66875 0.66875 0.33750 1.00000
Hf5 Hf 0.33975 0.83975 0.67949 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.83510 0.58596 0.67021 1.00000
Tc2 Tc 0.83511 0.08425 0.67021 1.00000
Tc3 Tc 0.49999 0.74838 0.00000 1.00000
Tc4 Tc 0.50001 0.25162 1.00000 1.00000
Tc5 Tc 0.16489 0.91575 0.32979 1.00000
Tc6 Tc 0.16490 0.41404 0.32979 1.00000
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