Hf5ZnSn2
Alexandria ALEXAlex-ID: agm003469872 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_419_spg63
Hf2Zn Hf5ZnSn3 Hf
2022-03-24 13:47:59.392862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469872).
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 agm003469872
data_agm003469872
_cell_length_a 4.80031
_cell_length_b 7.30064
_cell_length_c 12.13844
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.19350
_cell_volume 401.74970
_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 0.89118 0.78236 0.87736 1.00000
Hf2 Hf 0.89118 0.78236 0.62264 1.00000
Hf3 Hf 0.30968 0.61936 0.48824 1.00000
Hf4 Hf 0.30968 0.61936 0.01176 1.00000
Hf5 Hf 0.69603 0.39206 0.25000 1.00000
Hf6 Hf 0.30397 0.60794 0.75000 1.00000
Hf7 Hf 0.69032 0.38064 0.51176 1.00000
Hf8 Hf 0.69032 0.38064 0.98824 1.00000
Hf9 Hf 0.10882 0.21764 0.12264 1.00000
Hf10 Hf 0.10882 0.21764 0.37736 1.00000
Zn1 Zn 0.69347 0.38694 0.75000 1.00000
Zn2 Zn 0.30653 0.61306 0.25000 1.00000
Sn1 Sn 0.89435 0.78871 0.37401 1.00000
Sn2 Sn 0.89435 0.78871 0.12599 1.00000
Sn3 Sn 0.10565 0.21129 0.62599 1.00000
Sn4 Sn 0.10565 0.21129 0.87401 1.00000
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