Cs3Pm2SnS6
Alexandria ALEXAlex-ID: agm004635294 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
CsSnS2 CsPmS2
2022-06-30 04:28:50.860998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635294).
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 agm004635294
data_agm004635294
_cell_length_a 7.26797
_cell_length_b 7.26797
_cell_length_c 8.40965
_cell_angle_alpha 98.27674
_cell_angle_beta 98.27674
_cell_angle_gamma 120.00643
_cell_volume 368.39474
_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 0.16690 0.83310 0.50000 1.00000
Cs2 Cs 0.83310 0.16690 0.50000 1.00000
Cs3 Cs 0.50000 0.50000 0.50000 1.00000
Pm1 Pm 0.33332 0.66668 0.00000 1.00000
Pm2 Pm 0.66668 0.33332 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
S1 S 0.93874 0.61061 0.81619 1.00000
S2 S 0.73327 0.73327 0.18430 1.00000
S3 S 0.06126 0.38939 0.18381 1.00000
S4 S 0.61061 0.93874 0.81619 1.00000
S5 S 0.26673 0.26673 0.81570 1.00000
S6 S 0.38939 0.06126 0.18381 1.00000
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