Hf(Al3V2)2
Alexandria ALEXAlex-ID: agm003662625 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
AlV HfAl2
2022-04-26 12:03:27.868504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662625).
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 agm003662625
data_agm003662625
_cell_length_a 6.56523
_cell_length_b 6.56523
_cell_length_c 6.56523
_cell_angle_alpha 90.03758
_cell_angle_beta 119.97831
_cell_angle_gamma 119.97831
_cell_volume 200.16022
_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 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.90986 0.52333 1.00000
Al2 Al 0.00000 0.52333 0.90986 1.00000
Al3 Al 0.61347 0.09014 0.09014 1.00000
Al4 Al 0.50000 0.00000 0.50000 1.00000
Al5 Al 0.38653 0.47667 0.47667 1.00000
Al6 Al 0.50000 0.50000 0.00000 1.00000
V1 V 0.00000 0.28872 0.58566 1.00000
V2 V 0.70306 0.41434 0.41434 1.00000
V3 V 0.00000 0.58566 0.28872 1.00000
V4 V 0.29694 0.71128 0.71128 1.00000
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