Tb3PdRu
Alexandria ALEXAlex-ID: agm005800549 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7636_spg14
Tb2PdRu Tb5Ru2 TbPd
2023-07-05 15:43:20.055228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005800549).
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 agm005800549
data_agm005800549
_cell_length_a 8.09767
_cell_length_b 7.34370
_cell_length_c 8.64586
_cell_angle_alpha 89.99960
_cell_angle_beta 71.39611
_cell_angle_gamma 89.99895
_cell_volume 487.27729
_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 0.39770 0.15419 0.77244 1.00000
Tb2 Tb 0.60230 0.84581 0.22756 1.00000
Tb3 Tb 0.10228 0.65420 0.22756 1.00000
Tb4 Tb 0.89772 0.34580 0.77244 1.00000
Tb5 Tb 0.52194 0.68826 0.85495 1.00000
Tb6 Tb 0.47806 0.31174 0.14505 1.00000
Tb7 Tb 0.97808 0.18826 0.14505 1.00000
Tb8 Tb 0.02192 0.81174 0.85495 1.00000
Tb9 Tb 0.78571 0.99381 0.53920 1.00000
Tb10 Tb 0.21429 0.00619 0.46080 1.00000
Tb11 Tb 0.71429 0.49380 0.46080 1.00000
Tb12 Tb 0.28571 0.50620 0.53920 1.00000
Pd1 Pd 0.69144 0.03622 0.91105 1.00000
Pd2 Pd 0.30856 0.96378 0.08895 1.00000
Pd3 Pd 0.80855 0.53621 0.08894 1.00000
Pd4 Pd 0.19145 0.46379 0.91106 1.00000
Ru1 Ru 0.46110 0.81573 0.58154 1.00000
Ru2 Ru 0.53890 0.18427 0.41846 1.00000
Ru3 Ru 0.03892 0.31574 0.41846 1.00000
Ru4 Ru 0.96108 0.68426 0.58154 1.00000
