Tm2SiCl2
Alexandria ALEXAlex-ID: agm002317023 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1419_spg166
Tm5Si3 TmSi TmCl3
2023-03-29 18:41:19.015133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002317023).
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 agm002317023
data_agm002317023
_cell_length_a 3.99119
_cell_length_b 3.99118
_cell_length_c 10.34421
_cell_angle_alpha 78.68691
_cell_angle_beta 78.68547
_cell_angle_gamma 59.99418
_cell_volume 138.98494
_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 0.00000 0.00000 1.00000 1.00000
Tm1 Tm 0.61320 0.61323 0.15794 1.00000
Tm2 Tm 0.38680 0.38677 0.84206 1.00000
Cl1 Cl 0.22702 0.22706 0.31349 1.00000
Cl2 Cl 0.77298 0.77294 0.68651 1.00000
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