KPtS2O9
Alexandria ALEXAlex-ID: agm005259449 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D9_42_spg2
K2S2O7 Pt(SO4)2 PtO4 PtO2
2023-05-11 00:56:40.107041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259449).
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 agm005259449
data_agm005259449
_cell_length_a 7.81384
_cell_length_b 7.86363
_cell_length_c 7.95724
_cell_angle_alpha 102.84614
_cell_angle_beta 121.13630
_cell_angle_gamma 100.74219
_cell_volume 380.49105
_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 0.76918 0.02492 0.26149 1.00000
K2 K 0.23082 0.97508 0.73851 1.00000
Pt1 Pt 0.84025 0.51725 0.84603 1.00000
Pt2 Pt 0.15975 0.48275 0.15397 1.00000
S1 S 0.77381 0.10972 0.82111 1.00000
S2 S 0.22619 0.89028 0.17889 1.00000
S3 S 0.82532 0.55100 0.23379 1.00000
S4 S 0.17468 0.44900 0.76621 1.00000
O1 O 0.65927 0.25016 0.75435 1.00000
O2 O 0.34073 0.74984 0.24565 1.00000
O3 O 0.02588 0.78496 0.94269 1.00000
O4 O 0.97412 0.21504 0.05731 1.00000
O5 O 0.62889 0.96817 0.82458 1.00000
O6 O 0.37111 0.03183 0.17542 1.00000
O7 O 0.84123 0.04859 0.68709 1.00000
O8 O 0.15877 0.95141 0.31291 1.00000
O9 O 0.75052 0.60657 0.03656 1.00000
O10 O 0.24948 0.39343 0.96344 1.00000
O11 O 0.93350 0.42578 0.65935 1.00000
O12 O 0.06650 0.57422 0.34065 1.00000
O13 O 0.69984 0.35862 0.16784 1.00000
O14 O 0.30016 0.64138 0.83216 1.00000
O15 O 0.82315 0.69455 0.38175 1.00000
O16 O 0.17685 0.30545 0.61825 1.00000
O17 O 0.56539 0.56752 0.59021 1.00000
O18 O 0.43461 0.43248 0.40979 1.00000
