Zr4Zn7Hg
Alexandria ALEXAlex-ID: agm006089334 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_450_spg2
ZrZn2 Zr2Zn2Hg Hg
2023-08-14 23:18:53.061811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089334).
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 agm006089334
data_agm006089334
_cell_length_a 5.68512
_cell_length_b 5.89930
_cell_length_c 10.59294
_cell_angle_alpha 75.28350
_cell_angle_beta 47.02709
_cell_angle_gamma 58.13964
_cell_volume 217.55640
_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
Zr1 Zr 0.62681 0.52934 0.20868 1.00000
Zr2 Zr 0.37318 0.47066 0.79133 1.00000
Zr3 Zr 0.80590 0.83126 0.61895 1.00000
Zr4 Zr 0.19410 0.16874 0.38105 1.00000
Zn1 Zn 0.78474 0.50321 0.87015 1.00000
Zn2 Zn 0.21526 0.49679 0.12985 1.00000
Zn3 Zn 0.05193 0.04537 0.71074 1.00000
Zn4 Zn 0.94807 0.95463 0.28926 1.00000
Zn5 Zn 0.59849 0.67732 0.45931 1.00000
Zn6 Zn 0.50000 1.00000 0.00000 1.00000
Zn7 Zn 0.40151 0.32268 0.54069 1.00000
Hg1 Hg 0.00001 0.00000 1.00000 1.00000
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