K2ZnI2(NO6)2
Alexandria ALEXAlex-ID: agm010689587 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E12_3_spg58
Zn(IO3)2 KNO3
2024-12-08 20:44:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010689587).
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 agm010689587
data_agm010689587
_cell_length_a 5.51932
_cell_length_b 7.57012
_cell_length_c 14.64962
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 612.08996
_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 0.00000 0.30672 0.76450 1.00000
K2 K 0.00000 0.69328 0.23550 1.00000
K3 K 0.50000 0.80672 0.73550 1.00000
K4 K 0.50000 0.19328 0.26450 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.50000 0.00000 0.00000 1.00000
I1 I 0.00000 0.76524 0.90865 1.00000
I2 I 0.00000 0.23476 0.09135 1.00000
I3 I 0.50000 0.26524 0.59135 1.00000
I4 I 0.50000 0.73476 0.40865 1.00000
N1 N 0.00000 0.89291 0.59159 1.00000
N2 N 0.00000 0.10709 0.40841 1.00000
N3 N 0.50000 0.39291 0.90841 1.00000
N4 N 0.50000 0.60709 0.09159 1.00000
O1 O 0.24939 0.42520 0.59680 1.00000
O2 O 0.24939 0.57480 0.40320 1.00000
O3 O 0.25061 0.92520 0.90320 1.00000
O4 O 0.25061 0.07480 0.09680 1.00000
O5 O 0.75061 0.57480 0.40320 1.00000
O6 O 0.75061 0.42520 0.59680 1.00000
O7 O 0.74939 0.07480 0.09680 1.00000
O8 O 0.74939 0.92520 0.90320 1.00000
O9 O 0.30125 0.31307 0.92244 1.00000
O10 O 0.30125 0.68693 0.07756 1.00000
O11 O 0.19875 0.81307 0.57756 1.00000
O12 O 0.19875 0.18693 0.42244 1.00000
O13 O 0.69875 0.68693 0.07756 1.00000
O14 O 0.69875 0.31307 0.92244 1.00000
O15 O 0.80125 0.18693 0.42244 1.00000
O16 O 0.80125 0.81307 0.57756 1.00000
O17 O 0.00000 0.69450 0.79078 1.00000
O18 O 0.00000 0.30550 0.20922 1.00000
O19 O 0.50000 0.19450 0.70922 1.00000
O20 O 0.50000 0.80550 0.29078 1.00000
O21 O 0.00000 0.05131 0.61929 1.00000
O22 O 0.00000 0.94869 0.38071 1.00000
O23 O 0.50000 0.55131 0.88071 1.00000
O24 O 0.50000 0.44869 0.11929 1.00000
