Zn2HgIO6
Alexandria ALEXAlex-ID: agm004976313 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_429_spg15
HgO Hg(IO3)2 HgO5 ZnO
2022-08-01 06:36:51.834569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004976313).
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 agm004976313
data_agm004976313
_cell_length_a 6.73145
_cell_length_b 6.92716
_cell_length_c 6.92716
_cell_angle_alpha 83.96837
_cell_angle_beta 79.42360
_cell_angle_gamma 79.42360
_cell_volume 311.27774
_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 0.38459 0.75350 0.61341 1.00000
Zn2 Zn 0.11541 0.38659 0.24650 1.00000
Zn3 Zn 0.61541 0.24650 0.38659 1.00000
Zn4 Zn 0.88459 0.61341 0.75350 1.00000
Hg1 Hg 0.25000 0.90138 0.09862 1.00000
Hg2 Hg 0.75000 0.09862 0.90138 1.00000
I1 I 0.25000 0.26994 0.73006 1.00000
I2 I 0.75000 0.73006 0.26994 1.00000
O1 O 0.24260 0.97942 0.76396 1.00000
O2 O 0.25740 0.23604 0.02058 1.00000
O3 O 0.75740 0.02058 0.23604 1.00000
O4 O 0.74260 0.76396 0.97942 1.00000
O5 O 0.44681 0.75219 0.31864 1.00000
O6 O 0.05319 0.68136 0.24781 1.00000
O7 O 0.55319 0.24781 0.68136 1.00000
O8 O 0.94681 0.31864 0.75219 1.00000
O9 O 0.19823 0.56912 0.73060 1.00000
O10 O 0.30177 0.26940 0.43088 1.00000
O11 O 0.80177 0.43088 0.26940 1.00000
O12 O 0.69823 0.73060 0.56912 1.00000
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