Pr5Sm5Sc2
Alexandria ALEXAlex-ID: agm005663899 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Pr PrSm4 Sc
2023-06-19 06:33:51.921203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663899).
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 agm005663899
data_agm005663899
_cell_length_a 5.09583
_cell_length_b 8.06861
_cell_length_c 10.81090
_cell_angle_alpha 72.55879
_cell_angle_beta 76.36828
_cell_angle_gamma 71.59203
_cell_volume 397.45520
_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 0.83751 0.82636 0.49862 1.00000
Pr2 Pr 0.25404 0.74295 0.74897 1.00000
Pr3 Pr 0.74596 0.25705 0.25103 1.00000
Pr4 Pr 0.16249 0.17364 0.50138 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.33205 0.33617 0.99972 1.00000
Sm3 Sm 0.42073 0.90947 0.24907 1.00000
Sm4 Sm 0.57927 0.09053 0.75093 1.00000
Sm5 Sm 0.66795 0.66383 0.00028 1.00000
Sc1 Sc 0.91600 0.41457 0.75344 1.00000
Sc2 Sc 0.08400 0.58543 0.24656 1.00000
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