AsS2ClO8
Alexandria ALEXAlex-ID: agm004884744 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_414_spg12
SO3 As2(SO4)3 Cl2O
2023-01-06 03:41:53.962831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004884744).
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 agm004884744
data_agm004884744
_cell_length_a 5.30388
_cell_length_b 5.30388
_cell_length_c 8.23136
_cell_angle_alpha 103.43393
_cell_angle_beta 103.43393
_cell_angle_gamma 60.97671
_cell_volume 194.98197
_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
As1 As 0.00000 0.00000 0.00000 1.00000
S1 S 0.70421 0.70421 0.21278 1.00000
S2 S 0.29579 0.29579 0.78722 1.00000
Cl1 Cl 0.00000 0.00000 0.50000 1.00000
O1 O 0.61946 0.16789 0.82157 1.00000
O2 O 0.81385 0.81385 0.10912 1.00000
O3 O 0.77950 0.77950 0.39976 1.00000
O4 O 0.22050 0.22050 0.60024 1.00000
O5 O 0.18615 0.18615 0.89088 1.00000
O6 O 0.16789 0.61946 0.82157 1.00000
O7 O 0.83211 0.38054 0.17843 1.00000
O8 O 0.38054 0.83211 0.17843 1.00000
Get direct link