Ag(H3O2)2
Alexandria ALEXAlex-ID: agm003661341 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_186_spg121
H2O AgO
2022-04-08 11:29:25.472163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661341).
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 agm003661341
data_agm003661341
_cell_length_a 5.05379
_cell_length_b 5.05379
_cell_length_c 5.05379
_cell_angle_alpha 99.72668
_cell_angle_beta 114.55244
_cell_angle_gamma 114.55244
_cell_volume 97.26239
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 1.00000 0.22097 0.58516 1.00000
H2 H 1.00000 0.58516 0.22097 1.00000
H3 H 0.36420 0.77903 0.77903 1.00000
H4 H 0.50000 0.00000 0.50000 1.00000
H5 H 0.63580 0.41484 0.41484 1.00000
H6 H 0.50000 0.50000 0.00000 1.00000
O1 O 0.00000 0.30392 0.77488 1.00000
O2 O 0.52905 0.22512 0.22512 1.00000
O3 O 0.00000 0.77488 0.30392 1.00000
O4 O 0.47095 0.69608 0.69608 1.00000
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