CsGe(SO4)2
Alexandria ALEXAlex-ID: agm004873554 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_45_spg166
Ge2(SO4)3 Cs2S2O7 GeO2 SO2
2023-01-07 16:26:46.475421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004873554).
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 agm004873554
data_agm004873554
_cell_length_a 5.43414
_cell_length_b 5.43451
_cell_length_c 7.72823
_cell_angle_alpha 69.39976
_cell_angle_beta 69.41618
_cell_angle_gamma 60.00225
_cell_volume 180.62240
_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 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
S1 S 0.29184 0.29179 0.12452 1.00000
S2 S 0.70816 0.70821 0.87548 1.00000
O1 O 0.88454 0.43314 0.79778 1.00000
O2 O 0.64025 0.64014 0.07937 1.00000
O3 O 0.11546 0.56686 0.20222 1.00000
O4 O 0.35975 0.35986 0.92063 1.00000
O5 O 0.56698 0.11532 0.20222 1.00000
O6 O 0.43302 0.88468 0.79778 1.00000
O7 O 0.11548 0.11532 0.20222 1.00000
O8 O 0.88452 0.88468 0.79778 1.00000
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