Sc3Cu5(SnS4)2
Alexandria ALEXAlex-ID: agm009489096 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D8_1_spg8
ScCuS2 Cu SnS
2024-05-10 18:56:54.971666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009489096).
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 agm009489096
data_agm009489096
_cell_length_a 7.28795
_cell_length_b 7.28795
_cell_length_c 14.12670
_cell_angle_alpha 66.51318
_cell_angle_beta 66.51318
_cell_angle_gamma 29.43330
_cell_volume 335.96134
_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
Sc1 Sc 0.05058 0.05058 0.59668 1.00000
Sc2 Sc 0.33016 0.33016 0.82115 1.00000
Sc3 Sc 0.18697 0.18697 0.21167 1.00000
Cu1 Cu 0.69303 0.69303 0.00762 1.00000
Cu2 Cu 0.68242 0.68242 0.40413 1.00000
Cu3 Cu 0.95951 0.95951 0.24727 1.00000
Cu4 Cu 0.79847 0.79847 0.65831 1.00000
Cu5 Cu 0.58449 0.58449 0.75673 1.00000
Sn1 Sn 0.96377 0.96377 0.01627 1.00000
Sn2 Sn 0.39722 0.39722 0.40615 1.00000
S1 S 0.56669 0.56669 0.17820 1.00000
S2 S 0.29772 0.29772 0.01217 1.00000
S3 S 0.69657 0.69657 0.84087 1.00000
S4 S 0.80553 0.80553 0.22778 1.00000
S5 S 0.08019 0.08019 0.40812 1.00000
S6 S 0.68615 0.68615 0.57369 1.00000
S7 S 0.40688 0.40688 0.61865 1.00000
S8 S 0.97569 0.97569 0.80105 1.00000
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