Ac(SnS2)2
Alexandria ALEXAlex-ID: agm003453097 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_20_spg63
Ac2SnS5 SnS
2022-02-20 00:14:56.155018
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453097).
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 agm003453097
data_agm003453097
_cell_length_a 4.12367
_cell_length_b 6.80528
_cell_length_c 13.52254
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.63643
_cell_volume 361.64361
_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
Ac1 Ac 0.61349 0.22698 0.75000 1.00000
Ac2 Ac 0.38651 0.77302 0.25000 1.00000
Sn1 Sn 0.13009 0.26017 0.43731 1.00000
Sn2 Sn 0.86991 0.73983 0.93731 1.00000
Sn3 Sn 0.13009 0.26017 0.06269 1.00000
Sn4 Sn 0.86991 0.73983 0.56269 1.00000
S1 S 0.77506 0.55011 0.11909 1.00000
S2 S 0.77506 0.55011 0.38091 1.00000
S3 S 0.22494 0.44989 0.88091 1.00000
S4 S 0.22494 0.44989 0.61909 1.00000
S5 S 0.95047 0.90094 0.75000 1.00000
S6 S 0.04953 0.09906 0.25000 1.00000
S7 S 0.50000 0.00000 0.00000 1.00000
S8 S 0.50000 0.00000 0.50000 1.00000
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