UTl(HgO3)2
Alexandria ALEXAlex-ID: agm004952575 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_608_spg87
Tl2O3 U2Tl2O7 UO3 HgO
2022-07-30 08:15:07.494271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004952575).
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 agm004952575
data_agm004952575
_cell_length_a 5.95607
_cell_length_b 5.95604
_cell_length_c 6.15503
_cell_angle_alpha 61.06216
_cell_angle_beta 61.06251
_cell_angle_gamma 59.99937
_cell_volume 156.82684
_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 0.31616 0.31616 0.05152 1.00000
Tl1 Tl 0.81617 0.81617 0.55149 1.00000
Hg1 Hg 0.55791 0.55784 0.32634 1.00000
Hg2 Hg 0.07439 0.07447 0.77674 1.00000
O1 O 0.53825 0.20979 0.29126 1.00000
O2 O 0.20985 0.96071 0.29127 1.00000
O3 O 0.96072 0.53815 0.29135 1.00000
O4 O 0.42248 0.67163 0.81177 1.00000
O5 O 0.67160 0.09416 0.81169 1.00000
O6 O 0.09407 0.42254 0.81178 1.00000
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