Hf2(AlBi)3
Alexandria ALEXAlex-ID: agm009300675 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
HfBi2 HfAl2 Bi
2024-06-28 16:09:56.661573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009300675).
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 agm009300675
data_agm009300675
_cell_length_a 6.77664
_cell_length_b 8.50590
_cell_length_c 7.75747
_cell_angle_alpha 118.38866
_cell_angle_beta 89.71558
_cell_angle_gamma 99.04922
_cell_volume 387.22565
_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 0.02730 0.65462 0.27454 1.00000
Hf2 Hf 0.47205 0.32342 0.60907 1.00000
Hf3 Hf 0.97270 0.34538 0.72546 1.00000
Hf4 Hf 0.52795 0.67658 0.39093 1.00000
Al1 Al 0.36556 0.91836 0.26100 1.00000
Al2 Al 0.19532 0.50490 0.50903 1.00000
Al3 Al 0.31487 0.51616 0.99814 1.00000
Al4 Al 0.63444 0.08164 0.73900 1.00000
Al5 Al 0.80468 0.49510 0.49097 1.00000
Al6 Al 0.68513 0.48384 0.00186 1.00000
Bi1 Bi 0.20312 0.01374 0.64221 1.00000
Bi2 Bi 0.44437 0.24178 0.17946 1.00000
Bi3 Bi 0.04820 0.76572 0.93552 1.00000
Bi4 Bi 0.79688 0.98626 0.35779 1.00000
Bi5 Bi 0.55563 0.75822 0.82054 1.00000
Bi6 Bi 0.95180 0.23428 0.06448 1.00000
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