La5S2Cl3O10
Alexandria ALEXAlex-ID: agm009481102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D10_7_spg12
La2SO6 S8O LaClO La2(SO4)3
2025-01-02 21:43:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009481102).
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 agm009481102
data_agm009481102
_cell_length_a 7.08520
_cell_length_b 7.08520
_cell_length_c 10.39138
_cell_angle_alpha 87.79253
_cell_angle_beta 92.20747
_cell_angle_gamma 133.27255
_cell_volume 379.47844
_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
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.78462 0.21538 0.39256 1.00000
La3 La 0.21538 0.78462 0.60744 1.00000
La4 La 0.90202 0.09798 0.74598 1.00000
La5 La 0.09798 0.90202 0.25402 1.00000
S1 S 0.60424 0.39576 0.79185 1.00000
S2 S 0.39576 0.60424 0.20815 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Cl2 Cl 0.66014 0.33986 0.15192 1.00000
Cl3 Cl 0.33986 0.66014 0.84808 1.00000
O1 O 0.38709 0.10245 0.43951 1.00000
O2 O 0.10245 0.38709 0.56049 1.00000
O3 O 0.61291 0.89755 0.56049 1.00000
O4 O 0.89755 0.61291 0.43951 1.00000
O5 O 0.71663 0.28337 0.75232 1.00000
O6 O 0.28337 0.71663 0.24768 1.00000
O7 O 0.66010 0.77930 0.28870 1.00000
O8 O 0.77930 0.66010 0.71130 1.00000
O9 O 0.33990 0.22070 0.71130 1.00000
O10 O 0.22070 0.33990 0.28870 1.00000
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