Tm6C2S
Alexandria ALEXAlex-ID: agm005757095 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_161_spg12
Tm6C3S2 Tm2C Tm
2023-07-06 14:16:32.919580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757095).
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 agm005757095
data_agm005757095
_cell_length_a 3.60585
_cell_length_b 7.39538
_cell_length_c 8.01270
_cell_angle_alpha 102.62330
_cell_angle_beta 103.00338
_cell_angle_gamma 90.00000
_cell_volume 202.88784
_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 0.32553 0.88390 0.65107 1.00000
Tm2 Tm 0.00982 0.26705 0.01964 1.00000
Tm3 Tm 0.66998 0.56474 0.33997 1.00000
Tm4 Tm 0.99018 0.73295 0.98036 1.00000
Tm5 Tm 0.67447 0.11610 0.34893 1.00000
Tm6 Tm 0.33002 0.43526 0.66003 1.00000
C1 C 0.83228 0.66428 0.66457 1.00000
C2 C 0.16772 0.33572 0.33543 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
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