Hf4Zn4Ga7
Alexandria ALEXAlex-ID: agm008564286 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C7_0_spg139
HfZnGa2 HfGa2 Hf2(ZnGa)3
2024-06-28 09:37:00.890826
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564286).
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 agm008564286
data_agm008564286
_cell_length_a 10.09750
_cell_length_b 10.09750
_cell_length_c 10.09750
_cell_angle_alpha 94.10179
_cell_angle_beta 94.10179
_cell_angle_gamma 148.97503
_cell_volume 511.30443
_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 0.13336 0.13336 0.26672 1.00000
Hf2 Hf 0.86664 0.86664 0.73328 1.00000
Hf3 Hf 0.86664 0.13336 0.00000 1.00000
Hf4 Hf 0.13336 0.86664 0.00000 1.00000
Hf5 Hf 0.50000 0.30293 0.80293 1.00000
Hf6 Hf 0.50000 0.69707 0.19707 1.00000
Hf7 Hf 0.69707 0.50000 0.19707 1.00000
Hf8 Hf 0.30293 0.50000 0.80293 1.00000
Zn1 Zn 0.40505 0.90505 0.81011 1.00000
Zn2 Zn 0.09495 0.59495 0.18989 1.00000
Zn3 Zn 0.09495 0.90505 0.50000 1.00000
Zn4 Zn 0.40505 0.59495 0.50000 1.00000
Zn5 Zn 0.59495 0.40505 0.50000 1.00000
Zn6 Zn 0.90505 0.09495 0.50000 1.00000
Zn7 Zn 0.90505 0.40505 0.81011 1.00000
Zn8 Zn 0.59495 0.09495 0.18989 1.00000
Ga1 Ga 0.50000 0.08958 0.58958 1.00000
Ga2 Ga 0.50000 0.91042 0.41042 1.00000
Ga3 Ga 0.91042 0.50000 0.41042 1.00000
Ga4 Ga 0.08958 0.50000 0.58958 1.00000
Ga5 Ga 0.74735 0.74735 0.00000 1.00000
Ga6 Ga 0.25265 0.25265 0.00000 1.00000
Ga7 Ga 0.30288 0.30288 0.60577 1.00000
Ga8 Ga 0.69712 0.69712 0.39423 1.00000
Ga9 Ga 0.69712 0.30288 0.00000 1.00000
Ga10 Ga 0.30288 0.69712 0.00000 1.00000
Ga11 Ga 0.00000 0.28462 0.28462 1.00000
Ga12 Ga 0.00000 0.71538 0.71538 1.00000
Ga13 Ga 0.71538 0.00000 0.71538 1.00000
Ga14 Ga 0.28462 0.00000 0.28462 1.00000
