Ag2IrO4
Alexandria ALEXAlex-ID: agm005909321 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1444_spg12
Ag2Ir2O7 Ag2O
2023-10-14 06:25:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909321).
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 agm005909321
data_agm005909321
_cell_length_a 3.13367
_cell_length_b 5.14409
_cell_length_c 6.44401
_cell_angle_alpha 111.60212
_cell_angle_beta 104.07230
_cell_angle_gamma 90.00001
_cell_volume 93.21967
_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 0.30508 0.33977 0.61016 1.00000
Ag2 Ag 0.69492 0.66023 0.38984 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
O1 O 0.14540 0.96882 0.29080 1.00000
O2 O 0.85460 0.03118 0.70920 1.00000
O3 O 0.45046 0.73689 0.90092 1.00000
O4 O 0.54954 0.26311 0.09908 1.00000
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