K8SO4
Alexandria ALEXAlex-ID: agm097961118 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1545_spg38
K2S K2SO4 K2O
2025-06-17 21:26:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097961118).
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 agm097961118
data_agm097961118
_cell_length_a 4.59894
_cell_length_b 8.50971
_cell_length_c 9.41481
_cell_angle_alpha 115.75074
_cell_angle_beta 90.32836
_cell_angle_gamma 94.43401
_cell_volume 330.55387
_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 0.79626 0.83383 0.21642 1.00000
K2 K 0.70806 0.42182 0.00810 1.00000
K3 K 0.75595 0.25168 0.53878 1.00000
K4 K 0.72772 0.67092 0.61883 1.00000
K5 K 0.21382 0.33767 0.25900 1.00000
K6 K 0.27553 0.78185 0.43308 1.00000
K7 K 0.25170 0.69085 0.89819 1.00000
K8 K 0.10170 0.05571 0.80660 1.00000
S1 S 0.64339 0.06509 0.05382 1.00000
O1 O 0.78390 0.87246 0.93945 1.00000
O2 O 0.23390 0.57267 0.12155 1.00000
O3 O 0.20544 0.49630 0.56857 1.00000
O4 O 0.80263 0.94914 0.53762 1.00000
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