CsK(NO3)2
Alexandria ALEXAlex-ID: agm017809365 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_185_spg4
CsNO3 KNO3
2025-03-08 03:04:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017809365).
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 agm017809365
data_agm017809365
_cell_length_a 7.54196
_cell_length_b 5.66927
_cell_length_c 9.76818
_cell_angle_alpha 90.00000
_cell_angle_beta 108.13649
_cell_angle_gamma 90.00000
_cell_volume 396.91195
_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 0.26539 0.75000 0.09359 1.00000
Cs2 Cs 0.73461 0.25000 0.90641 1.00000
K1 K 0.26138 0.75000 0.58563 1.00000
K2 K 0.73862 0.25000 0.41437 1.00000
N1 N 0.25783 0.25000 0.40005 1.00000
N2 N 0.25817 0.25000 0.85914 1.00000
N3 N 0.74217 0.75000 0.59995 1.00000
N4 N 0.74183 0.75000 0.14086 1.00000
O1 O 0.85256 0.75000 0.06567 1.00000
O2 O 0.86385 0.75000 0.53464 1.00000
O3 O 0.14744 0.25000 0.93433 1.00000
O4 O 0.13615 0.25000 0.46536 1.00000
O5 O 0.68477 0.94426 0.17636 1.00000
O6 O 0.67997 0.55618 0.63140 1.00000
O7 O 0.31523 0.05574 0.82364 1.00000
O8 O 0.32003 0.44382 0.36860 1.00000
O9 O 0.68477 0.55574 0.17636 1.00000
O10 O 0.67997 0.94382 0.63140 1.00000
O11 O 0.31523 0.44426 0.82364 1.00000
O12 O 0.32003 0.05618 0.36860 1.00000
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