Hg2IO2
Alexandria ALEXAlex-ID: agm003387484 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1574_spg2
Hg(IO3)2 HgI2 HgO
2022-02-11 11:20:14.268012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003387484).
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 agm003387484
data_agm003387484
_cell_length_a 6.98160
_cell_length_b 6.75417
_cell_length_c 6.91095
_cell_angle_alpha 59.71397
_cell_angle_beta 61.73690
_cell_angle_gamma 51.56707
_cell_volume 214.17855
_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
Hg1 Hg 0.45377 0.50273 0.27122 1.00000
Hg2 Hg 0.88030 0.78321 0.68040 1.00000
Hg3 Hg 0.11969 0.21679 0.31960 1.00000
Hg4 Hg 0.54623 0.49727 0.72878 1.00000
I1 I 0.82800 0.80577 0.18251 1.00000
I2 I 0.17199 0.19423 0.81749 1.00000
O1 O 0.53947 0.75041 0.85552 1.00000
O2 O 0.75328 0.23839 0.50695 1.00000
O3 O 0.46053 0.24959 0.14448 1.00000
O4 O 0.24672 0.76161 0.49305 1.00000
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