Hf6TiTc5
Alexandria ALEXAlex-ID: agm006136292 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Hf5Tc4 Hf3Ti2Tc3 Hf2Tc
2023-09-10 23:45:29.365591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136292).
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 agm006136292
data_agm006136292
_cell_length_a 4.62842
_cell_length_b 6.59400
_cell_length_c 7.33948
_cell_angle_alpha 90.00025
_cell_angle_beta 108.38752
_cell_angle_gamma 90.00003
_cell_volume 212.56320
_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 0.82941 0.74550 0.65878 1.00000
Hf2 Hf 0.82941 0.25448 0.65877 1.00000
Hf3 Hf 0.50000 0.26123 1.00000 1.00000
Hf4 Hf 0.50000 0.73877 0.00000 1.00000
Hf5 Hf 0.17059 0.74552 0.34123 1.00000
Hf6 Hf 0.17059 0.25450 0.34122 1.00000
Tc1 Tc 0.66746 0.50000 0.33493 1.00000
Tc2 Tc 0.33971 1.00000 0.68007 1.00000
Tc3 Tc 0.00000 0.50000 0.00000 1.00000
Tc4 Tc 0.66029 0.00000 0.31993 1.00000
Tc5 Tc 0.33254 0.50000 0.66507 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
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