CsSO4
Alexandria ALEXAlex-ID: agm005248173 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_889_spg141
SO12 CsO12 Cs2S2O7
2022-12-13 01:43:58.116129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248173).
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 agm005248173
data_agm005248173
_cell_length_a 8.32586
_cell_length_b 8.07856
_cell_length_c 8.07666
_cell_angle_alpha 90.00037
_cell_angle_beta 89.99934
_cell_angle_gamma 118.86233
_cell_volume 475.76344
_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
Cs1 Cs 0.24999 0.75000 0.37479 1.00000
Cs2 Cs 0.25000 0.24998 0.87480 1.00000
Cs3 Cs 0.75001 0.25000 0.62521 1.00000
Cs4 Cs 0.75000 0.75002 0.12520 1.00000
S1 S 0.25009 0.25002 0.37341 1.00000
S2 S 0.24992 0.74997 0.87336 1.00000
S3 S 0.74991 0.74998 0.62659 1.00000
S4 S 0.75008 0.25003 0.12664 1.00000
O1 O 0.13328 0.29864 0.48018 1.00000
O2 O 0.36670 0.70132 0.98013 1.00000
O3 O 0.86672 0.70136 0.51982 1.00000
O4 O 0.63330 0.29868 0.01987 1.00000
O5 O 0.36724 0.41483 0.26682 1.00000
O6 O 0.13275 0.58517 0.76677 1.00000
O7 O 0.63276 0.58517 0.73318 1.00000
O8 O 0.86725 0.41483 0.23323 1.00000
O9 O 0.63309 0.79857 0.51981 1.00000
O10 O 0.86688 0.20140 0.01986 1.00000
O11 O 0.36691 0.20143 0.48019 1.00000
O12 O 0.13312 0.79860 0.98014 1.00000
O13 O 0.13294 0.08518 0.26685 1.00000
O14 O 0.36710 0.91480 0.76681 1.00000
O15 O 0.86706 0.91482 0.73315 1.00000
O16 O 0.63290 0.08520 0.23319 1.00000
