Sm6SnS4
Alexandria ALEXAlex-ID: agm006074099 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_36_spg63
Sm8S7 Sm5Sn3S Sm10Sn6S
2023-10-09 00:42:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074099).
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 agm006074099
data_agm006074099
_cell_length_a 4.11877
_cell_length_b 6.94233
_cell_length_c 20.43354
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.25603
_cell_volume 557.97495
_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
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Sm2 Sm 0.50000 0.00000 0.50000 1.00000
Sm3 Sm 0.03890 0.07780 0.34149 1.00000
Sm4 Sm 0.96110 0.92220 0.65851 1.00000
Sm5 Sm 0.96110 0.92220 0.84149 1.00000
Sm6 Sm 0.03890 0.07780 0.15851 1.00000
Sm7 Sm 0.77023 0.54046 0.41620 1.00000
Sm8 Sm 0.22977 0.45954 0.58380 1.00000
Sm9 Sm 0.22977 0.45954 0.91620 1.00000
Sm10 Sm 0.77023 0.54046 0.08380 1.00000
Sm11 Sm 0.33682 0.67363 0.25000 1.00000
Sm12 Sm 0.66318 0.32637 0.75000 1.00000
Sn1 Sn 0.65969 0.31939 0.25000 1.00000
Sn2 Sn 0.34031 0.68061 0.75000 1.00000
S1 S 0.86298 0.72597 0.53935 1.00000
S2 S 0.40399 0.80798 0.12258 1.00000
S3 S 0.13702 0.27403 0.46065 1.00000
S4 S 0.59601 0.19202 0.87742 1.00000
S5 S 0.86298 0.72597 0.96065 1.00000
S6 S 0.13702 0.27403 0.03935 1.00000
S7 S 0.59601 0.19202 0.62258 1.00000
S8 S 0.40399 0.80798 0.37742 1.00000
