TbPrTh
Alexandria ALEXAlex-ID: agm003598643 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_260_spg129
Tb5Pr3 Tb2Th3 Pr
2022-03-09 15:50:13.097294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003598643).
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 agm003598643
data_agm003598643
_cell_length_a 3.62076
_cell_length_b 3.62076
_cell_length_c 15.34611
_cell_angle_alpha 89.99952
_cell_angle_beta 89.99952
_cell_angle_gamma 90.00036
_cell_volume 201.18624
_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 0.31798 0.31798 0.51155 1.00000
Tb2 Tb 0.81787 0.81787 0.99119 1.00000
Pr1 Pr 0.31756 0.31756 0.16420 1.00000
Pr2 Pr 0.81763 0.81763 0.33863 1.00000
Th1 Th 0.81815 0.81815 0.67259 1.00000
Th2 Th 0.31812 0.31812 0.83009 1.00000
