Tb2PaRu3
Alexandria ALEXAlex-ID: agm034702120 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_3_spg65
Tb2PaRu3
2024-12-23 11:48:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034702120).
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 agm034702120
data_agm034702120
_cell_length_a 4.98036
_cell_length_b 3.45073
_cell_length_c 7.51720
_cell_angle_alpha 90.00000
_cell_angle_beta 109.23145
_cell_angle_gamma 90.00000
_cell_volume 121.98011
_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 0.17052 0.00000 0.84208 1.00000
Tb2 Tb 0.82948 0.00000 0.15792 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Ru1 Ru 0.00000 0.50000 0.50000 1.00000
Ru2 Ru 0.64405 0.50000 0.78923 1.00000
Ru3 Ru 0.35595 0.50000 0.21077 1.00000
