InHgO2
Alexandria ALEXAlex-ID: agm005773671 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9455_spg11
HgO In2O3 Hg
2023-07-13 05:36:30.342930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773671).
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 agm005773671
data_agm005773671
_cell_length_a 3.34515
_cell_length_b 5.82701
_cell_length_c 7.11050
_cell_angle_alpha 105.40958
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 133.61691
_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
In1 In 0.25000 0.74958 0.50012 1.00000
In2 In 0.75000 0.25042 0.49988 1.00000
Hg1 Hg 0.25000 0.22438 0.99974 1.00000
Hg2 Hg 0.75000 0.77562 0.00026 1.00000
O1 O 0.75000 0.86438 0.34252 1.00000
O2 O 0.25000 0.36766 0.34055 1.00000
O3 O 0.75000 0.63234 0.65945 1.00000
O4 O 0.25000 0.13562 0.65748 1.00000
Get direct link