K2Ni(NO3)4
Alexandria ALEXAlex-ID: agm020055869 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_33_spg14
K2Ni(NO3)4
2024-12-19 12:39:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020055869).
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 agm020055869
data_agm020055869
_cell_length_a 7.33524
_cell_length_b 8.22879
_cell_length_c 9.73394
_cell_angle_alpha 90.00000
_cell_angle_beta 92.83588
_cell_angle_gamma 90.00000
_cell_volume 586.82267
_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 0.71163 0.94779 0.87801 1.00000
K2 K 0.28837 0.44779 0.62199 1.00000
K3 K 0.28837 0.05221 0.12199 1.00000
K4 K 0.71163 0.55221 0.37801 1.00000
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
Ni2 Ni 0.00000 0.50000 0.00000 1.00000
N1 N 0.82477 0.91017 0.23403 1.00000
N2 N 0.17523 0.41017 0.26597 1.00000
N3 N 0.17523 0.08983 0.76597 1.00000
N4 N 0.82477 0.58983 0.73403 1.00000
N5 N 0.26465 0.81274 0.46103 1.00000
N6 N 0.73535 0.31274 0.03897 1.00000
N7 N 0.73535 0.18726 0.53897 1.00000
N8 N 0.26465 0.68726 0.96103 1.00000
O1 O 0.84032 0.86922 0.36365 1.00000
O2 O 0.15968 0.36922 0.13635 1.00000
O3 O 0.15968 0.13078 0.63635 1.00000
O4 O 0.84032 0.63078 0.86365 1.00000
O5 O 0.92315 0.01989 0.18893 1.00000
O6 O 0.07685 0.51989 0.31107 1.00000
O7 O 0.07685 0.98011 0.81107 1.00000
O8 O 0.92315 0.48011 0.68893 1.00000
O9 O 0.70837 0.83483 0.15971 1.00000
O10 O 0.29163 0.33483 0.34029 1.00000
O11 O 0.29163 0.16517 0.84029 1.00000
O12 O 0.70837 0.66517 0.65971 1.00000
O13 O 0.23884 0.94484 0.39231 1.00000
O14 O 0.76116 0.44484 0.10769 1.00000
O15 O 0.76116 0.05516 0.60769 1.00000
O16 O 0.23884 0.55516 0.89231 1.00000
O17 O 0.39209 0.71907 0.44110 1.00000
O18 O 0.60791 0.21907 0.05890 1.00000
O19 O 0.60791 0.28093 0.55890 1.00000
O20 O 0.39209 0.78093 0.94110 1.00000
O21 O 0.14817 0.78411 0.55286 1.00000
O22 O 0.85183 0.28411 0.94714 1.00000
O23 O 0.85183 0.21589 0.44714 1.00000
O24 O 0.14817 0.71589 0.05286 1.00000
