PuAg3(HgO3)2
Alexandria ALEXAlex-ID: agm004624345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_313_spg12
Ag2HgO2 PuO3 Ag HgO
2022-06-28 09:33:30.314664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004624345).
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 agm004624345
data_agm004624345
_cell_length_a 7.48554
_cell_length_b 7.48554
_cell_length_c 5.18595
_cell_angle_alpha 95.09046
_cell_angle_beta 95.09046
_cell_angle_gamma 138.25547
_cell_volume 187.37974
_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
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.18782 0.81218 0.50000 1.00000
Ag2 Ag 0.81218 0.18782 0.50000 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.30314 0.69686 0.00000 1.00000
Hg2 Hg 0.69686 0.30314 0.00000 1.00000
O1 O 0.87847 0.65420 0.76468 1.00000
O2 O 0.78403 0.78403 0.22815 1.00000
O3 O 0.12153 0.34580 0.23532 1.00000
O4 O 0.65420 0.87847 0.76468 1.00000
O5 O 0.21597 0.21597 0.77185 1.00000
O6 O 0.34580 0.12153 0.23532 1.00000
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