Pr3Sm8Th3
Alexandria ALEXAlex-ID: agm005692884 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_30_spg71
SmTh4 Pr PrSm4
2023-06-29 10:59:18.049576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692884).
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 agm005692884
data_agm005692884
_cell_length_a 5.70906
_cell_length_b 9.64171
_cell_length_c 9.64171
_cell_angle_alpha 87.78259
_cell_angle_beta 72.78007
_cell_angle_gamma 72.78008
_cell_volume 483.51869
_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
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.78113 0.21885 0.21885 1.00000
Pr3 Pr 0.21887 0.78115 0.78115 1.00000
Sm1 Sm 0.63895 0.10366 0.61842 1.00000
Sm2 Sm 0.36105 0.89634 0.38158 1.00000
Sm3 Sm 0.63895 0.61842 0.10366 1.00000
Sm4 Sm 0.36105 0.38158 0.89634 1.00000
Sm5 Sm 0.86344 0.75452 0.51861 1.00000
Sm6 Sm 0.13656 0.24548 0.48139 1.00000
Sm7 Sm 0.86344 0.51861 0.75452 1.00000
Sm8 Sm 0.13656 0.48139 0.24548 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 1.00000 0.84954 0.15046 1.00000
Th3 Th 0.00000 0.15046 0.84954 1.00000
Get direct link