U2HgO6
Alexandria ALEXAlex-ID: agm097612936 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2969_spg12
UO3 Hg
2025-04-08 15:02:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097612936).
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 agm097612936
data_agm097612936
_cell_length_a 3.40744
_cell_length_b 4.16755
_cell_length_c 12.99136
_cell_angle_alpha 81.12927
_cell_angle_beta 85.75288
_cell_angle_gamma 89.98203
_cell_volume 181.76758
_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
U1 U 0.88853 0.84939 0.95784 1.00000
U2 U 0.21861 0.15062 0.31996 1.00000
Hg1 Hg 0.07147 0.50003 0.63882 1.00000
O1 O 0.32611 0.80199 0.05447 1.00000
O2 O 0.65544 0.10374 0.41714 1.00000
O3 O 0.45184 0.89627 0.86062 1.00000
O4 O 0.78093 0.19795 0.22336 1.00000
O5 O 0.89089 0.35067 0.95527 1.00000
O6 O 0.21617 0.64935 0.32253 1.00000
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