Tm3SiC
Alexandria ALEXAlex-ID: agm002331007 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_11_spg63
Tm15Si9C Tm3C4 Tm2C
2019-02-10 11:20:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002331007).
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
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# CIF generated by HEAS from Alexandria entry agm002331007
data_agm002331007
_cell_length_a 3.65584
_cell_length_b 6.34993
_cell_length_c 9.34350
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.75224
_cell_volume 207.69789
_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
Si1 Si 0.24882 0.49733 0.25000 1.00000
Si2 Si 0.75118 0.50264 0.75000 1.00000
Tm1 Tm 0.12842 0.25648 0.55247 1.00000
Tm2 Tm 0.55963 0.11884 0.25000 1.00000
Tm3 Tm 0.44037 0.88112 0.75000 1.00000
Tm4 Tm 0.12842 0.25648 0.94753 1.00000
Tm5 Tm 0.87158 0.74349 0.05248 1.00000
Tm6 Tm 0.87158 0.74349 0.44752 1.00000
C1 C 0.50000 0.99998 0.50000 1.00000
C2 C 0.50000 0.99998 0.00000 1.00000
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