Cr2Ag3O8
Alexandria ALEXAlex-ID: agm005648173 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_25_spg64
CrAgO2 AgO AgO5
2023-06-16 04:41:14.639747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648173).
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 agm005648173
data_agm005648173
_cell_length_a 6.99411
_cell_length_b 7.19734
_cell_length_c 8.51802
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.07254
_cell_volume 374.76349
_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
Cr1 Cr 0.62896 0.25792 0.11351 1.00000
Cr2 Cr 0.87104 0.74208 0.61351 1.00000
Cr3 Cr 0.12896 0.25792 0.38649 1.00000
Cr4 Cr 0.37104 0.74208 0.88649 1.00000
Ag1 Ag 0.61832 0.73665 0.25000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.88168 0.26335 0.75000 1.00000
Ag4 Ag 0.11832 0.73665 0.25000 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Ag6 Ag 0.38168 0.26335 0.75000 1.00000
O1 O 0.57605 0.75687 0.99729 1.00000
O2 O 0.68082 0.75686 0.50271 1.00000
O3 O 0.97511 0.95022 0.74033 1.00000
O4 O 0.75538 0.51077 0.71051 1.00000
O5 O 0.52489 0.04978 0.24033 1.00000
O6 O 0.74462 0.48923 0.21051 1.00000
O7 O 0.07605 0.75687 0.50271 1.00000
O8 O 0.81918 0.24314 0.00271 1.00000
O9 O 0.18082 0.75686 0.99729 1.00000
O10 O 0.92395 0.24313 0.49729 1.00000
O11 O 0.02489 0.04978 0.25967 1.00000
O12 O 0.47511 0.95022 0.75967 1.00000
O13 O 0.24462 0.48923 0.28949 1.00000
O14 O 0.25538 0.51077 0.78949 1.00000
O15 O 0.31918 0.24314 0.49729 1.00000
O16 O 0.42395 0.24313 0.00271 1.00000
