KAuO2
Alexandria ALEXAlex-ID: agm074485151 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12404_spg12
KAuO2
2025-01-15 14:53:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074485151).
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 agm074485151
data_agm074485151
_cell_length_a 4.42874
_cell_length_b 6.43503
_cell_length_c 9.19203
_cell_angle_alpha 89.30418
_cell_angle_beta 87.96496
_cell_angle_gamma 69.87016
_cell_volume 245.80719
_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 0.28648 0.46221 0.56469 1.00000
K2 K 0.67727 0.64547 0.88246 1.00000
K3 K 0.25124 0.46219 0.19995 1.00000
Au1 Au 0.97248 0.04131 0.21616 1.00000
Au2 Au 0.98603 0.04129 0.54869 1.00000
Au3 Au 0.97078 0.05875 0.88241 1.00000
O1 O 0.08977 0.81876 0.38243 1.00000
O2 O 0.87389 0.27481 0.71110 1.00000
O3 O 0.07489 0.82805 0.04351 1.00000
O4 O 0.86824 0.26430 0.38243 1.00000
O5 O 0.09662 0.82801 0.72131 1.00000
O6 O 0.85231 0.27484 0.05374 1.00000
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