Tb2Cu3Ir
Alexandria ALEXAlex-ID: agm034455641 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2218_spg11
Tb2CuIr TbCu5 TbCuIr
2025-04-13 20:21:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034455641).
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 agm034455641
data_agm034455641
_cell_length_a 5.21319
_cell_length_b 7.53532
_cell_length_c 5.54458
_cell_angle_alpha 90.00000
_cell_angle_beta 93.14703
_cell_angle_gamma 90.00000
_cell_volume 217.47933
_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 0.40569 0.84044 0.25791 1.00000
Tb2 Tb 0.40569 0.15956 0.75791 1.00000
Tb3 Tb 0.10536 0.63687 0.73894 1.00000
Tb4 Tb 0.10536 0.36313 0.23894 1.00000
Cu1 Cu 0.90598 0.99216 0.50630 1.00000
Cu2 Cu 0.90598 0.00784 0.00630 1.00000
Cu3 Cu 0.61513 0.20515 0.27021 1.00000
Cu4 Cu 0.61513 0.79485 0.77021 1.00000
Cu5 Cu 0.89269 0.28420 0.72950 1.00000
Cu6 Cu 0.89269 0.71580 0.22950 1.00000
Ir1 Ir 0.57573 0.51059 0.49693 1.00000
Ir2 Ir 0.57573 0.48941 0.99693 1.00000
Get direct link