KPm(SO3)2
Alexandria ALEXAlex-ID: agm004944934 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_503_spg15
KPm(SO4)2 KS5 K2SO4 Pm2SO2
2022-07-31 04:57:46.332548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944934).
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 agm004944934
data_agm004944934
_cell_length_a 6.70434
_cell_length_b 6.70434
_cell_length_c 7.97699
_cell_angle_alpha 104.94917
_cell_angle_beta 104.94917
_cell_angle_gamma 98.89594
_cell_volume 325.15993
_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 0.14353 0.85647 0.25000 1.00000
K2 K 0.85647 0.14353 0.75000 1.00000
Pm1 Pm 0.55078 0.44922 0.25000 1.00000
Pm2 Pm 0.44922 0.55078 0.75000 1.00000
S1 S 0.34501 0.08433 0.78282 1.00000
S2 S 0.91567 0.65499 0.71718 1.00000
S3 S 0.65499 0.91567 0.21718 1.00000
S4 S 0.08433 0.34501 0.28282 1.00000
O1 O 0.91584 0.47391 0.25766 1.00000
O2 O 0.52609 0.08416 0.24234 1.00000
O3 O 0.08416 0.52609 0.74234 1.00000
O4 O 0.47391 0.91584 0.75766 1.00000
O5 O 0.15736 0.30673 0.11136 1.00000
O6 O 0.69327 0.84264 0.38864 1.00000
O7 O 0.84264 0.69327 0.88864 1.00000
O8 O 0.30673 0.15736 0.61136 1.00000
O9 O 0.29171 0.51127 0.42548 1.00000
O10 O 0.48873 0.70829 0.07452 1.00000
O11 O 0.70829 0.48873 0.57452 1.00000
O12 O 0.51127 0.29171 0.92548 1.00000
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