Hf3Ti2Cu3
Alexandria ALEXAlex-ID: agm009809696 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Hf7Cu10 Ti2Cu Hf2Cu
2024-04-20 03:10:22.506918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009809696).
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 agm009809696
data_agm009809696
_cell_length_a 6.41630
_cell_length_b 6.41630
_cell_length_c 13.96405
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 150.95286
_cell_volume 279.12284
_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 0.05372 0.94628 0.37376 1.00000
Hf2 Hf 0.94628 0.05372 0.87376 1.00000
Hf3 Hf 0.05372 0.94628 0.12624 1.00000
Hf4 Hf 0.94628 0.05372 0.62624 1.00000
Hf5 Hf 0.36776 0.63224 0.25000 1.00000
Hf6 Hf 0.63224 0.36776 0.75000 1.00000
Ti1 Ti 0.23655 0.76345 0.91315 1.00000
Ti2 Ti 0.76345 0.23655 0.41315 1.00000
Ti3 Ti 0.23655 0.76345 0.58685 1.00000
Ti4 Ti 0.76345 0.23655 0.08685 1.00000
Cu1 Cu 0.41005 0.58995 0.46418 1.00000
Cu2 Cu 0.58995 0.41005 0.96418 1.00000
Cu3 Cu 0.41005 0.58995 0.03582 1.00000
Cu4 Cu 0.58995 0.41005 0.53582 1.00000
Cu5 Cu 0.66614 0.33386 0.25000 1.00000
Cu6 Cu 0.33386 0.66614 0.75000 1.00000
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