Tb3Pr5Sm2
Alexandria ALEXAlex-ID: agm003345331 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_151_spg72
Tb4Pr3Sm PrSm4 Pr
2022-02-02 12:38:59.115022
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345331).
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 agm003345331
data_agm003345331
_cell_length_a 6.91139
_cell_length_b 12.60746
_cell_length_c 12.60746
_cell_angle_alpha 44.33299
_cell_angle_beta 74.09167
_cell_angle_gamma 74.09166
_cell_volume 733.30247
_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 0.25000 0.00000 0.00000 1.00000
Tb2 Tb 0.75000 0.00000 0.00000 1.00000
Tb3 Tb 0.38138 0.36519 0.87204 1.00000
Tb4 Tb 0.61862 0.63481 0.12796 1.00000
Tb5 Tb 0.88138 0.87204 0.36519 1.00000
Tb6 Tb 0.11862 0.12796 0.63481 1.00000
Pr1 Pr 0.25000 0.50000 0.50000 1.00000
Pr2 Pr 0.75000 0.50000 0.50000 1.00000
Pr3 Pr 0.49630 0.75370 0.75370 1.00000
Pr4 Pr 0.00370 0.24630 0.24630 1.00000
Pr5 Pr 0.50370 0.24630 0.24630 1.00000
Pr6 Pr 0.99630 0.75370 0.75370 1.00000
Pr7 Pr 0.12762 0.46957 0.27520 1.00000
Pr8 Pr 0.87238 0.53043 0.72480 1.00000
Pr9 Pr 0.62762 0.27520 0.46957 1.00000
Pr10 Pr 0.37238 0.72480 0.53043 1.00000
Sm1 Sm 0.12058 0.78495 0.97389 1.00000
Sm2 Sm 0.87942 0.21505 0.02611 1.00000
Sm3 Sm 0.62058 0.97389 0.78495 1.00000
Sm4 Sm 0.37942 0.02611 0.21505 1.00000
