ReHgIO4
Alexandria ALEXAlex-ID: agm019504375 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_538_spg12
ReHgIO4
2025-03-01 19:03:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019504375).
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 agm019504375
data_agm019504375
_cell_length_a 6.72442
_cell_length_b 6.72442
_cell_length_c 10.10307
_cell_angle_alpha 66.21870
_cell_angle_beta 113.78130
_cell_angle_gamma 106.11196
_cell_volume 378.93453
_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
Re1 Re 0.36108 0.63892 0.64814 1.00000
Re2 Re 0.63892 0.36108 0.35186 1.00000
Hg1 Hg 0.84112 0.15888 0.79828 1.00000
Hg2 Hg 0.15888 0.84112 0.20172 1.00000
I1 I 0.83739 0.16261 0.06319 1.00000
I2 I 0.16261 0.83739 0.93681 1.00000
O1 O 0.77274 0.22726 0.55000 1.00000
O2 O 0.22726 0.77274 0.45000 1.00000
O3 O 0.83590 0.51475 0.26403 1.00000
O4 O 0.46668 0.53332 0.32788 1.00000
O5 O 0.51475 0.83590 0.73597 1.00000
O6 O 0.48525 0.16410 0.26403 1.00000
O7 O 0.53332 0.46668 0.67212 1.00000
O8 O 0.16410 0.48525 0.73597 1.00000
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