Tm6SiC2S3
Alexandria ALEXAlex-ID: agm004598752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tm3CS2 Tm2CS TmSi
2022-06-26 18:15:38.238259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004598752).
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 agm004598752
data_agm004598752
_cell_length_a 3.71082
_cell_length_b 7.78084
_cell_length_c 8.55143
_cell_angle_alpha 103.67910
_cell_angle_beta 102.53117
_cell_angle_gamma 90.00000
_cell_volume 233.84653
_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
Tm1 Tm 0.32966 0.87932 0.65931 1.00000
Tm2 Tm 0.67729 0.56250 0.35459 1.00000
Tm3 Tm 0.67034 0.12068 0.34069 1.00000
Tm4 Tm 0.01531 0.26271 0.03063 1.00000
Tm5 Tm 0.98469 0.73729 0.96937 1.00000
Tm6 Tm 0.32271 0.43750 0.64541 1.00000
Si1 Si 0.50000 0.00000 0.00000 1.00000
C1 C 0.82933 0.65850 0.65866 1.00000
C2 C 0.17067 0.34150 0.34134 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.83573 0.16911 0.67145 1.00000
S3 S 0.16427 0.83089 0.32855 1.00000
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