Ag6H3IO6
Alexandria ALEXAlex-ID: agm005235701 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D6_15_spg2
Ag2O AgIO3 H2O Ag
2023-05-07 04:43:35.447946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235701).
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 agm005235701
data_agm005235701
_cell_length_a 5.66271
_cell_length_b 6.44374
_cell_length_c 6.92257
_cell_angle_alpha 80.97944
_cell_angle_beta 115.73129
_cell_angle_gamma 109.57308
_cell_volume 214.38203
_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 0.12016 0.48437 0.28283 1.00000
Ag2 Ag 0.87984 0.51563 0.71717 1.00000
Ag3 Ag 0.60222 0.36386 0.29521 1.00000
Ag4 Ag 0.39778 0.63614 0.70479 1.00000
Ag5 Ag 0.66269 0.81219 0.39651 1.00000
Ag6 Ag 0.33731 0.18781 0.60349 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.50000 0.00000 0.00000 1.00000
H3 H 0.00000 0.50000 0.50000 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
O1 O 0.01926 0.98729 0.28260 1.00000
O2 O 0.98074 0.01271 0.71740 1.00000
O3 O 0.11653 0.32010 0.00189 1.00000
O4 O 0.88347 0.67990 0.99811 1.00000
O5 O 0.59415 0.98012 0.87587 1.00000
O6 O 0.40585 0.01988 0.12413 1.00000
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