SnS11
Alexandria ALEXAlex-ID: agm044259480 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_85_spg1
SnS11
2024-09-22 01:35:15.617959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044259480).
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
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# CIF generated by HEAS from Alexandria entry agm044259480
data_agm044259480
_cell_length_a 7.84868
_cell_length_b 9.01381
_cell_length_c 8.18929
_cell_angle_alpha 96.08834
_cell_angle_beta 52.54842
_cell_angle_gamma 78.14945
_cell_volume 429.79040
_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
Sn1 Sn 0.22707 0.12442 0.09216 1.00000
S1 S 0.26508 0.05205 0.35742 1.00000
S2 S 0.81973 0.78961 0.63506 1.00000
S3 S 0.87521 0.34770 0.25234 1.00000
S4 S 0.42215 0.37216 0.74484 1.00000
S5 S 0.25601 0.87539 0.90187 1.00000
S6 S 0.71985 0.71926 0.06537 1.00000
S7 S 0.36611 0.80887 0.28141 1.00000
S8 S 0.53388 0.23479 0.87134 1.00000
S9 S 0.57712 0.80651 0.60413 1.00000
S10 S 0.60739 0.26226 0.42485 1.00000
S11 S 0.83040 0.60696 0.76921 1.00000
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