Cs3K(NO3)4
Alexandria ALEXAlex-ID: agm045348972 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_0_spg155
CsNO3 KNO3
2024-12-11 04:03:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045348972).
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 agm045348972
data_agm045348972
_cell_length_a 7.69950
_cell_length_b 7.69950
_cell_length_c 7.69950
_cell_angle_alpha 98.90625
_cell_angle_beta 98.90625
_cell_angle_gamma 98.90625
_cell_volume 437.96529
_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 0.52525 0.47475 0.00000 1.00000
Cs2 Cs 0.00000 0.52525 0.47475 1.00000
Cs3 Cs 0.47475 0.00000 0.52525 1.00000
K1 K 0.00000 0.00000 0.00000 1.00000
N1 N 0.98635 0.01365 0.50000 1.00000
N2 N 0.50000 0.98635 0.01365 1.00000
N3 N 0.01365 0.50000 0.98635 1.00000
N4 N 0.50000 0.50000 0.50000 1.00000
O1 O 0.39143 0.50000 0.60857 1.00000
O2 O 0.50000 0.87849 0.12151 1.00000
O3 O 0.87849 0.12151 0.50000 1.00000
O4 O 0.12151 0.50000 0.87849 1.00000
O5 O 0.98941 0.37224 0.07235 1.00000
O6 O 0.37224 0.07235 0.98941 1.00000
O7 O 0.07235 0.98941 0.37224 1.00000
O8 O 0.92765 0.62776 0.01059 1.00000
O9 O 0.62776 0.01059 0.92765 1.00000
O10 O 0.01059 0.92765 0.62776 1.00000
O11 O 0.50000 0.60857 0.39143 1.00000
O12 O 0.60857 0.39143 0.50000 1.00000
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