Pr5Sm3Dy
Alexandria ALEXAlex-ID: agm003564982 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_272_spg12
Pr3SmDy4 PrSm4 Pr
2022-03-25 05:09:09.512622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003564982).
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 agm003564982
data_agm003564982
_cell_length_a 9.66322
_cell_length_b 9.66322
_cell_length_c 9.68030
_cell_angle_alpha 76.73166
_cell_angle_beta 76.73166
_cell_angle_gamma 50.52130
_cell_volume 674.86371
_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 0.87950 0.44693 0.42710 1.00000
Pr2 Pr 0.32478 0.67522 0.00000 1.00000
Pr3 Pr 0.69109 0.69109 0.08704 1.00000
Pr4 Pr 0.50262 0.50262 0.32774 1.00000
Pr5 Pr 0.49738 0.49738 0.67226 1.00000
Pr6 Pr 0.30891 0.30891 0.91296 1.00000
Pr7 Pr 0.44693 0.87950 0.42710 1.00000
Pr8 Pr 0.67522 0.32478 0.00000 1.00000
Pr9 Pr 0.12050 0.55307 0.57290 1.00000
Pr10 Pr 0.55307 0.12050 0.57290 1.00000
Sm1 Sm 0.68765 0.68765 0.73736 1.00000
Sm2 Sm 0.84909 0.84909 0.27591 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
Sm4 Sm 0.00000 0.00000 0.50000 1.00000
Sm5 Sm 0.31235 0.31235 0.26264 1.00000
Sm6 Sm 0.15091 0.15091 0.72409 1.00000
Dy1 Dy 0.87113 0.87113 0.83773 1.00000
Dy2 Dy 0.12887 0.12887 0.16227 1.00000
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