UMnHgO6
Alexandria ALEXAlex-ID: agm005069760 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
MnO2 UO3 HgO
2022-12-17 20:37:16.598239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005069760).
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 agm005069760
data_agm005069760
_cell_length_a 5.48368
_cell_length_b 5.48379
_cell_length_c 5.19430
_cell_angle_alpha 85.16688
_cell_angle_beta 94.83400
_cell_angle_gamma 58.00513
_cell_volume 130.45621
_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 0.67121 0.67123 0.49999 1.00000
Mn1 Mn 0.33286 0.33286 0.49999 1.00000
Hg1 Hg 0.98179 0.98183 0.99999 1.00000
O1 O 0.98991 0.40179 0.29376 1.00000
O2 O 0.40175 0.98995 0.70622 1.00000
O3 O 0.65834 0.32333 0.71355 1.00000
O4 O 0.05171 0.58893 0.70466 1.00000
O5 O 0.32330 0.65837 0.28644 1.00000
O6 O 0.58890 0.05175 0.29531 1.00000
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