Hf2Zn3Ag
Alexandria ALEXAlex-ID: agm005667630 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_452_spg2
HfZn2 Ag HfAg
2023-08-25 10:44:58.460745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667630).
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 agm005667630
data_agm005667630
_cell_length_a 5.40496
_cell_length_b 5.40496
_cell_length_c 8.32629
_cell_angle_alpha 101.52303
_cell_angle_beta 101.52304
_cell_angle_gamma 112.61502
_cell_volume 209.47383
_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 0.25000 0.75000 0.50000 1.00000
Hf2 Hf 0.74994 0.74994 1.00000 1.00000
Hf3 Hf 0.75000 0.25000 0.50000 1.00000
Hf4 Hf 0.25006 0.25006 0.00000 1.00000
Zn1 Zn 0.32805 0.83596 0.16401 1.00000
Zn2 Zn 0.16404 0.67195 0.83599 1.00000
Zn3 Zn 0.67195 0.16404 0.83599 1.00000
Zn4 Zn 0.83596 0.32805 0.16401 1.00000
Zn5 Zn 0.16396 0.16396 0.32792 1.00000
Zn6 Zn 0.83604 0.83604 0.67208 1.00000
Ag1 Ag 0.66657 0.66657 0.33314 1.00000
Ag2 Ag 0.33343 0.33343 0.66686 1.00000
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