K5NO4
Alexandria ALEXAlex-ID: agm005506973 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_348_spg1
K3NO3 K2O
2023-03-20 14:33:01.051774
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506973).
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 agm005506973
data_agm005506973
_cell_length_a 4.02297
_cell_length_b 6.68113
_cell_length_c 11.13959
_cell_angle_alpha 80.68855
_cell_angle_beta 84.98055
_cell_angle_gamma 72.68285
_cell_volume 281.82556
_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 0.87177 0.41468 0.90825 1.00000
K2 K 0.33068 0.83371 0.21830 1.00000
K3 K 0.06709 0.24409 0.45921 1.00000
K4 K 0.35469 0.60028 0.60370 1.00000
K5 K 0.58499 0.07289 0.73574 1.00000
N1 N 0.80971 0.88160 0.41374 1.00000
O1 O 0.83930 0.68572 0.38769 1.00000
O2 O 0.69478 0.04404 0.32312 1.00000
O3 O 0.69313 0.92089 0.52672 1.00000
O4 O 0.96526 0.33270 0.69616 1.00000
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