Tb2ThRu3
Alexandria ALEXAlex-ID: agm040785041 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Tb2ThRu3
2025-04-14 08:10:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040785041).
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 agm040785041
data_agm040785041
_cell_length_a 5.66825
_cell_length_b 7.12069
_cell_length_c 13.84612
_cell_angle_alpha 104.90987
_cell_angle_beta 85.25837
_cell_angle_gamma 108.44611
_cell_volume 512.29274
_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 0.65416 0.07539 0.34436 1.00000
Tb2 Tb 0.20115 0.29046 0.50294 1.00000
Tb3 Tb 0.66351 0.24012 0.67090 1.00000
Tb4 Tb 0.21048 0.45518 0.82952 1.00000
Tb5 Tb 0.23669 0.97168 0.84303 1.00000
Tb6 Tb 0.64103 0.40299 0.00328 1.00000
Tb7 Tb 0.22353 0.12752 0.17059 1.00000
Tb8 Tb 0.62791 0.55889 0.33081 1.00000
Th1 Th 0.21471 0.79518 0.50343 1.00000
Th2 Th 0.64993 0.73541 0.67045 1.00000
Th3 Th 0.65842 0.89955 0.00285 1.00000
Th4 Th 0.20617 0.63096 0.17101 1.00000
Ru1 Ru 0.75185 0.44712 0.50443 1.00000
Ru2 Ru 0.74555 0.90634 0.50491 1.00000
Ru3 Ru 0.11282 0.08359 0.66945 1.00000
Ru4 Ru 0.11908 0.62416 0.66898 1.00000
Ru5 Ru 0.77319 0.63055 0.83826 1.00000
Ru6 Ru 0.77993 0.07304 0.84182 1.00000
Ru7 Ru 0.11087 0.73459 0.00654 1.00000
Ru8 Ru 0.09993 0.30586 0.00727 1.00000
Ru9 Ru 0.75368 0.79593 0.16731 1.00000
Ru10 Ru 0.76467 0.22466 0.16658 1.00000
Ru11 Ru 0.09144 0.89997 0.33560 1.00000
Ru12 Ru 0.08467 0.45754 0.33204 1.00000
