K2SN2O5
Alexandria ALEXAlex-ID: agm006226885 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_42_spg62
N2O K2SO4
2024-11-01 08:30:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006226885).
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 agm006226885
data_agm006226885
_cell_length_a 7.23271
_cell_length_b 8.23406
_cell_length_c 10.11370
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 602.31694
_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 0.55262 0.48880 0.81021 1.00000
K2 K 0.94738 0.01120 0.31021 1.00000
K3 K 0.44738 0.98880 0.18979 1.00000
K4 K 0.05262 0.51120 0.68979 1.00000
K5 K 0.44738 0.51120 0.18979 1.00000
K6 K 0.05262 0.98880 0.68979 1.00000
K7 K 0.55262 0.01120 0.81021 1.00000
K8 K 0.94738 0.48880 0.31021 1.00000
S1 S 0.35489 0.25000 0.50127 1.00000
S2 S 0.14511 0.25000 0.00127 1.00000
S3 S 0.64511 0.75000 0.49873 1.00000
S4 S 0.85489 0.75000 0.99873 1.00000
N1 N 0.59622 0.25000 0.46237 1.00000
N2 N 0.90378 0.25000 0.96237 1.00000
N3 N 0.40378 0.75000 0.53763 1.00000
N4 N 0.09622 0.75000 0.03763 1.00000
N5 N 0.71196 0.25000 0.56135 1.00000
N6 N 0.78804 0.25000 0.06135 1.00000
N7 N 0.28804 0.75000 0.43865 1.00000
N8 N 0.21196 0.75000 0.93865 1.00000
O1 O 0.34373 0.25000 0.64605 1.00000
O2 O 0.15627 0.25000 0.14605 1.00000
O3 O 0.65627 0.75000 0.35395 1.00000
O4 O 0.84373 0.75000 0.85395 1.00000
O5 O 0.28849 0.39892 0.43933 1.00000
O6 O 0.21151 0.10108 0.93933 1.00000
O7 O 0.71151 0.89892 0.56067 1.00000
O8 O 0.78849 0.60108 0.06067 1.00000
O9 O 0.71151 0.60108 0.56067 1.00000
O10 O 0.78849 0.89892 0.06067 1.00000
O11 O 0.28849 0.10108 0.43933 1.00000
O12 O 0.21151 0.39892 0.93933 1.00000
O13 O 0.63727 0.25000 0.33649 1.00000
O14 O 0.86273 0.25000 0.83649 1.00000
O15 O 0.36273 0.75000 0.66351 1.00000
O16 O 0.13727 0.75000 0.16351 1.00000
O17 O 0.88415 0.25000 0.52545 1.00000
O18 O 0.61585 0.25000 0.02545 1.00000
O19 O 0.11585 0.75000 0.47455 1.00000
O20 O 0.38415 0.75000 0.97455 1.00000
