Pr2Sm5Th2
Alexandria ALEXAlex-ID: agm005565637 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_540_spg12
SmTh4 Pr PrSm4
2023-06-03 05:50:43.655930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565637).
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 agm005565637
data_agm005565637
_cell_length_a 3.51823
_cell_length_b 8.07480
_cell_length_c 13.17885
_cell_angle_alpha 118.82495
_cell_angle_beta 97.67074
_cell_angle_gamma 90.00001
_cell_volume 324.17918
_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 0.82359 0.79153 0.64717 1.00000
Pr2 Pr 0.17641 0.20847 0.35283 1.00000
Sm1 Sm 0.69219 0.83585 0.38437 1.00000
Sm2 Sm 0.30781 0.16415 0.61563 1.00000
Sm3 Sm 0.91071 0.55066 0.82142 1.00000
Sm4 Sm 0.08929 0.44934 0.17858 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.55244 0.74702 0.10488 1.00000
Th2 Th 0.44756 0.25298 0.89512 1.00000
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