Hf3Mg2Zn7
Alexandria ALEXAlex-ID: agm024846022 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_153_spg166
HfMgZn4 Mg HfZn2
2025-05-17 00:19:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024846022).
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
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# CIF generated by HEAS from Alexandria entry agm024846022
data_agm024846022
_cell_length_a 8.88329
_cell_length_b 8.88329
_cell_length_c 8.88329
_cell_angle_alpha 34.83958
_cell_angle_beta 34.83958
_cell_angle_gamma 34.83958
_cell_volume 204.21879
_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
Hf2 Hf 0.13935 0.13935 0.13935 1.00000
Hf3 Hf 0.86065 0.86065 0.86065 1.00000
Mg1 Mg 0.33487 0.33487 0.33487 1.00000
Mg2 Mg 0.66513 0.66513 0.66513 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.07769 0.59394 0.59394 1.00000
Zn3 Zn 0.59394 0.59394 0.07769 1.00000
Zn4 Zn 0.59394 0.07769 0.59394 1.00000
Zn5 Zn 0.92231 0.40606 0.40606 1.00000
Zn6 Zn 0.40606 0.92231 0.40606 1.00000
Zn7 Zn 0.40606 0.40606 0.92231 1.00000
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