Sm2C2S
Alexandria ALEXAlex-ID: agm005874099 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1472_spg15
Sm3CS2 Sm4C5 C
2023-08-03 12:00:01.804806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874099).
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 agm005874099
data_agm005874099
_cell_length_a 3.95342
_cell_length_b 6.88654
_cell_length_c 7.34821
_cell_angle_alpha 104.29813
_cell_angle_beta 105.60511
_cell_angle_gamma 90.00000
_cell_volume 186.24134
_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 0.84782 0.15480 0.26585 1.00000
Sm2 Sm 0.41803 0.65480 0.26585 1.00000
Sm3 Sm 0.15218 0.84520 0.73415 1.00000
Sm4 Sm 0.58197 0.34520 0.73415 1.00000
C1 C 0.94065 0.46447 0.56192 1.00000
C2 C 0.37872 0.03553 0.43808 1.00000
C3 C 0.05935 0.53553 0.43808 1.00000
C4 C 0.62128 0.96447 0.56192 1.00000
S1 S 0.78051 0.75000 0.00000 1.00000
S2 S 0.21949 0.25000 1.00000 1.00000
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