ZnHg8F6
Alexandria ALEXAlex-ID: agm072909501 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_1132_spg2
HgF Hg ZnF2
2024-10-06 07:18:33.448030
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072909501).
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 agm072909501
data_agm072909501
_cell_length_a 5.07168
_cell_length_b 7.06595
_cell_length_c 10.75426
_cell_angle_alpha 99.60153
_cell_angle_beta 116.50517
_cell_angle_gamma 91.02854
_cell_volume 338.18509
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.18911 0.85602 0.42384 1.00000
Hg2 Hg 0.81089 0.14398 0.57616 1.00000
Hg3 Hg 0.50971 0.73588 0.18125 1.00000
Hg4 Hg 0.52446 0.36240 0.17633 1.00000
Hg5 Hg 0.17225 0.36084 0.41038 1.00000
Hg6 Hg 0.49029 0.26412 0.81875 1.00000
Hg7 Hg 0.47554 0.63760 0.82367 1.00000
Hg8 Hg 0.82775 0.63916 0.58962 1.00000
F1 F 0.40975 0.05316 0.20009 1.00000
F2 F 0.83630 0.22962 0.07028 1.00000
F3 F 0.82887 0.80745 0.07038 1.00000
F4 F 0.59025 0.94684 0.79991 1.00000
F5 F 0.16370 0.77038 0.92972 1.00000
F6 F 0.17113 0.19255 0.92962 1.00000
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