Ca(AgO2)2
Alexandria ALEXAlex-ID: agm005254276 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_50_spg141
Ca(AgO2)2
2023-05-06 18:28:22.212029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005254276).
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 agm005254276
data_agm005254276
_cell_length_a 7.61447
_cell_length_b 7.61447
_cell_length_c 7.61447
_cell_angle_alpha 133.18244
_cell_angle_beta 133.18244
_cell_angle_gamma 68.36777
_cell_volume 230.57977
_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
Ca1 Ca 0.25000 0.75000 0.50000 1.00000
Ca2 Ca 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.37500 0.12500 0.25000 1.00000
Ag2 Ag 0.87500 0.62500 0.75000 1.00000
Ag3 Ag 0.87500 0.12500 0.75000 1.00000
Ag4 Ag 0.87500 0.12500 0.25000 1.00000
O1 O 0.62221 0.89718 0.27496 1.00000
O2 O 0.10282 0.37779 0.72504 1.00000
O3 O 0.65275 0.37779 0.27496 1.00000
O4 O 0.12779 0.35282 0.22504 1.00000
O5 O 0.12779 0.90275 0.77496 1.00000
O6 O 0.64718 0.87221 0.77496 1.00000
O7 O 0.62221 0.34725 0.72504 1.00000
O8 O 0.09725 0.87221 0.22504 1.00000
Get direct link