Sn(Mo3S4)2
Alexandria ALEXAlex-ID: agm005255754 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_152_spg2
MoS2 Sn Mo
2023-05-07 00:41:19.912582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255754).
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 agm005255754
data_agm005255754
_cell_length_a 6.04358
_cell_length_b 6.96495
_cell_length_c 7.83548
_cell_angle_alpha 116.66063
_cell_angle_beta 103.83784
_cell_angle_gamma 94.29520
_cell_volume 279.81855
_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 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.53227 0.70700 0.95914 1.00000
Mo2 Mo 0.03205 0.58365 0.68126 1.00000
Mo3 Mo 0.20120 0.64148 0.13109 1.00000
Mo4 Mo 0.46773 0.29300 0.04086 1.00000
Mo5 Mo 0.96795 0.41635 0.31874 1.00000
Mo6 Mo 0.79880 0.35852 0.86891 1.00000
S1 S 0.33624 0.89296 0.79169 1.00000
S2 S 0.63546 0.50240 0.66405 1.00000
S3 S 0.66534 0.00386 0.58212 1.00000
S4 S 0.66376 0.10704 0.20831 1.00000
S5 S 0.36454 0.49760 0.33595 1.00000
S6 S 0.33466 0.99614 0.41788 1.00000
S7 S 0.82511 0.65421 0.20068 1.00000
S8 S 0.17489 0.34579 0.79932 1.00000
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