K2SN2O5
Alexandria ALEXAlex-ID: agm005259536 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_85_spg62
N2O K2SO4
2024-10-06 05:06:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259536).
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 agm005259536
data_agm005259536
_cell_length_a 7.23729
_cell_length_b 8.23836
_cell_length_c 10.13640
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 604.36639
_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 0.55024 0.99380 0.31207 1.00000
K2 K 0.05024 0.50620 0.18793 1.00000
K3 K 0.44976 0.49380 0.68793 1.00000
K4 K 0.94976 0.49380 0.81207 1.00000
K5 K 0.44976 0.00620 0.68793 1.00000
K6 K 0.05024 0.99380 0.18793 1.00000
K7 K 0.94976 0.00620 0.81207 1.00000
K8 K 0.55024 0.50620 0.31207 1.00000
S1 S 0.14076 0.75000 0.50104 1.00000
S2 S 0.35924 0.25000 0.00104 1.00000
S3 S 0.85924 0.25000 0.49896 1.00000
S4 S 0.64076 0.75000 0.99896 1.00000
N1 N 0.71550 0.25000 0.06236 1.00000
N2 N 0.78450 0.75000 0.56236 1.00000
N3 N 0.21550 0.25000 0.43764 1.00000
N4 N 0.60153 0.25000 0.96305 1.00000
N5 N 0.89847 0.75000 0.46305 1.00000
N6 N 0.28450 0.75000 0.93764 1.00000
N7 N 0.10153 0.25000 0.53695 1.00000
N8 N 0.39847 0.75000 0.03695 1.00000
O1 O 0.29416 0.10103 0.93873 1.00000
O2 O 0.14459 0.25000 0.66248 1.00000
O3 O 0.84689 0.25000 0.35483 1.00000
O4 O 0.79416 0.10103 0.56127 1.00000
O5 O 0.65311 0.75000 0.85483 1.00000
O6 O 0.64459 0.25000 0.83752 1.00000
O7 O 0.15311 0.75000 0.64517 1.00000
O8 O 0.38857 0.25000 0.47180 1.00000
O9 O 0.34689 0.25000 0.14517 1.00000
O10 O 0.70584 0.60103 0.06127 1.00000
O11 O 0.20584 0.60103 0.43873 1.00000
O12 O 0.79416 0.39897 0.56127 1.00000
O13 O 0.88857 0.25000 0.02820 1.00000
O14 O 0.61143 0.75000 0.52820 1.00000
O15 O 0.20584 0.89897 0.43873 1.00000
O16 O 0.35541 0.75000 0.16248 1.00000
O17 O 0.70584 0.89897 0.06127 1.00000
O18 O 0.11143 0.75000 0.97180 1.00000
O19 O 0.85541 0.75000 0.33752 1.00000
O20 O 0.29416 0.39897 0.93873 1.00000
