CsAu(IO3)4
Alexandria ALEXAlex-ID: agm005242547 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_103_spg5
CsAu(IO3)4
2023-05-07 16:29:25.504926
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242547).
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 agm005242547
data_agm005242547
_cell_length_a 7.72771
_cell_length_b 7.72771
_cell_length_c 8.46253
_cell_angle_alpha 73.39920
_cell_angle_beta 73.39920
_cell_angle_gamma 45.76911
_cell_volume 344.25674
_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
Cs1 Cs 0.04089 0.95911 0.00000 1.00000
Au1 Au 0.24028 0.75972 0.50000 1.00000
I1 I 0.27920 0.35558 0.83384 1.00000
I2 I 0.64442 0.72080 0.16616 1.00000
I3 I 0.67740 0.62291 0.65384 1.00000
I4 I 0.37709 0.32260 0.34616 1.00000
O1 O 0.11991 0.68250 0.72876 1.00000
O2 O 0.31750 0.88009 0.27124 1.00000
O3 O 0.07137 0.33857 0.79764 1.00000
O4 O 0.66143 0.92863 0.20236 1.00000
O5 O 0.14165 0.45699 0.03932 1.00000
O6 O 0.54301 0.85835 0.96068 1.00000
O7 O 0.63982 0.42104 0.78972 1.00000
O8 O 0.57896 0.36018 0.21028 1.00000
O9 O 0.82507 0.48485 0.46172 1.00000
O10 O 0.51515 0.17493 0.53828 1.00000
O11 O 0.34902 0.87838 0.59747 1.00000
O12 O 0.12162 0.65098 0.40253 1.00000
Get direct link