Tm2Si3Ir
Alexandria ALEXAlex-ID: agm003427872 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_132_spg69
TmSi2Ir TmSi
2022-02-14 16:08:20.848996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427872).
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 agm003427872
data_agm003427872
_cell_length_a 5.67213
_cell_length_b 5.67213
_cell_length_c 8.11395
_cell_angle_alpha 110.97615
_cell_angle_beta 110.97615
_cell_angle_gamma 88.61477
_cell_volume 225.97267
_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 0.75000 0.25000 0.50000 1.00000
Tm2 Tm 0.74639 0.25361 0.00000 1.00000
Tm3 Tm 0.25000 0.75000 0.50000 1.00000
Tm4 Tm 0.25361 0.74639 0.00000 1.00000
Si1 Si 0.83483 0.83483 0.16675 1.00000
Si2 Si 0.66808 0.66808 0.83325 1.00000
Si3 Si 0.16517 0.16517 0.83325 1.00000
Si4 Si 0.33192 0.33192 0.16675 1.00000
Si5 Si 0.16690 0.16690 0.33381 1.00000
Si6 Si 0.83310 0.83310 0.66619 1.00000
Ir1 Ir 0.66603 0.66603 0.33205 1.00000
Ir2 Ir 0.33397 0.33397 0.66795 1.00000
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