K2Ag2O3
Alexandria ALEXAlex-ID: agm005559617 · Space group: I2_13 (#199)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_35_spg199
KAgO2 KAgO
2023-06-09 13:26:42.161382
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005559617).
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 agm005559617
data_agm005559617
_cell_length_a 7.54517
_cell_length_b 7.54513
_cell_length_c 7.54515
_cell_angle_alpha 109.47106
_cell_angle_beta 109.47124
_cell_angle_gamma 109.47115
_cell_volume 330.66109
_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
K1 K 1.00000 1.00000 0.52945 1.00000
K2 K 0.50000 0.52945 0.50000 1.00000
K3 K 0.47055 0.97055 0.97055 1.00000
K4 K 0.02945 0.50000 1.00000 1.00000
Ag1 Ag 1.00000 1.00000 0.09801 1.00000
Ag2 Ag 0.50000 0.09801 0.50000 1.00000
Ag3 Ag 0.90199 0.40199 0.40199 1.00000
Ag4 Ag 0.59801 0.50000 0.00000 1.00000
O1 O 0.67530 0.75000 0.92530 1.00000
O2 O 0.82470 0.25000 0.57470 1.00000
O3 O 0.07470 0.32470 0.25000 1.00000
O4 O 0.42530 0.17530 0.75000 1.00000
O5 O 0.25000 0.92530 0.17530 1.00000
O6 O 0.75000 0.57470 0.32470 1.00000
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