Tb2Si3Ir
Alexandria ALEXAlex-ID: agm003427876 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_132_spg69
Tb2Si3Ir
2022-02-14 16:00:59.901786
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427876).
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 agm003427876
data_agm003427876
_cell_length_a 5.76271
_cell_length_b 5.76271
_cell_length_c 8.16346
_cell_angle_alpha 110.79039
_cell_angle_beta 110.79039
_cell_angle_gamma 89.67658
_cell_volume 234.68628
_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
Tb1 Tb 0.75000 0.25000 0.50000 1.00000
Tb2 Tb 0.74751 0.25249 0.00000 1.00000
Tb3 Tb 0.25000 0.75000 0.50000 1.00000
Tb4 Tb 0.25249 0.74751 0.00000 1.00000
Si1 Si 0.83431 0.83431 0.16716 1.00000
Si2 Si 0.66715 0.66715 0.83284 1.00000
Si3 Si 0.16569 0.16569 0.83284 1.00000
Si4 Si 0.33285 0.33285 0.16716 1.00000
Si5 Si 0.16709 0.16709 0.33417 1.00000
Si6 Si 0.83291 0.83291 0.66583 1.00000
Ir1 Ir 0.66621 0.66621 0.33242 1.00000
Ir2 Ir 0.33379 0.33379 0.66758 1.00000
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