PuAg(HO3)2
Alexandria ALEXAlex-ID: agm004975652 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1005_spg15
PuAgO4 PuO3 AgO5 H2O
2022-07-23 13:44:29.612410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004975652).
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 agm004975652
data_agm004975652
_cell_length_a 6.02380
_cell_length_b 8.08894
_cell_length_c 8.08894
_cell_angle_alpha 59.67289
_cell_angle_beta 53.52622
_cell_angle_gamma 53.52622
_cell_volume 247.76262
_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 0.25000 0.30767 0.69233 1.00000
Pu2 Pu 0.75000 0.69233 0.30767 1.00000
Ag1 Ag 0.25000 0.87555 0.12445 1.00000
Ag2 Ag 0.75000 0.12445 0.87555 1.00000
H1 H 0.29954 0.56704 0.80485 1.00000
H2 H 0.20046 0.19515 0.43296 1.00000
H3 H 0.70046 0.43296 0.19515 1.00000
H4 H 0.79954 0.80485 0.56704 1.00000
O1 O 0.19579 0.02683 0.80396 1.00000
O2 O 0.30421 0.19604 0.97317 1.00000
O3 O 0.80421 0.97317 0.19604 1.00000
O4 O 0.69579 0.80396 0.02683 1.00000
O5 O 0.35719 0.85956 0.44577 1.00000
O6 O 0.14281 0.55423 0.14044 1.00000
O7 O 0.64281 0.14044 0.55423 1.00000
O8 O 0.85719 0.44577 0.85956 1.00000
O9 O 0.94220 0.69195 0.49022 1.00000
O10 O 0.55780 0.50978 0.30805 1.00000
O11 O 0.05780 0.30805 0.50978 1.00000
O12 O 0.44220 0.49022 0.69195 1.00000
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