NaAu(IO3)4
Alexandria ALEXAlex-ID: agm005288752 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_134_spg14
NaAu(IO3)4
2024-10-06 19:17:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288752).
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 agm005288752
data_agm005288752
_cell_length_a 11.01525
_cell_length_b 5.01543
_cell_length_c 12.27861
_cell_angle_alpha 90.00000
_cell_angle_beta 115.90551
_cell_angle_gamma 90.00000
_cell_volume 610.18404
_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
Na1 Na 0.50000 0.00000 0.50000 1.00000
Na2 Na 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.50000 0.50000 1.00000
I1 I 0.34444 0.55215 0.67783 1.00000
I2 I 0.65556 0.05215 0.82217 1.00000
I3 I 0.65556 0.44785 0.32217 1.00000
I4 I 0.34444 0.94785 0.17783 1.00000
I5 I 0.18313 0.00231 0.84445 1.00000
I6 I 0.81687 0.50231 0.65555 1.00000
I7 I 0.81687 0.99769 0.15555 1.00000
I8 I 0.18313 0.49769 0.34445 1.00000
O1 O 0.17649 0.70657 0.56115 1.00000
O2 O 0.82351 0.20657 0.93885 1.00000
O3 O 0.82351 0.29343 0.43885 1.00000
O4 O 0.17649 0.79343 0.06115 1.00000
O5 O 0.34832 0.70547 0.81499 1.00000
O6 O 0.65168 0.20547 0.68501 1.00000
O7 O 0.65168 0.29453 0.18501 1.00000
O8 O 0.34832 0.79453 0.31499 1.00000
O9 O 0.44644 0.80693 0.65175 1.00000
O10 O 0.55356 0.30693 0.84825 1.00000
O11 O 0.55356 0.19307 0.34825 1.00000
O12 O 0.44644 0.69307 0.15175 1.00000
O13 O 0.16914 0.22178 0.72327 1.00000
O14 O 0.83086 0.72178 0.77673 1.00000
O15 O 0.83086 0.77822 0.27673 1.00000
O16 O 0.16914 0.27822 0.22327 1.00000
O17 O 0.32948 0.13910 0.97297 1.00000
O18 O 0.67052 0.63910 0.52703 1.00000
O19 O 0.67052 0.86090 0.02703 1.00000
O20 O 0.32948 0.36090 0.47297 1.00000
O21 O 0.04484 0.18491 0.87421 1.00000
O22 O 0.95516 0.68491 0.62579 1.00000
O23 O 0.95516 0.81509 0.12579 1.00000
O24 O 0.04484 0.31509 0.37421 1.00000
