Pr5Sm5Y2
Alexandria ALEXAlex-ID: agm005647879 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
PrSm4 Pr PrY2
2023-06-19 13:24:58.093350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647879).
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 agm005647879
data_agm005647879
_cell_length_a 5.16880
_cell_length_b 8.18176
_cell_length_c 10.97497
_cell_angle_alpha 72.61357
_cell_angle_beta 76.38001
_cell_angle_gamma 71.58646
_cell_volume 415.11445
_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 0.83489 0.83107 0.49916 1.00000
Pr2 Pr 0.25065 0.74822 0.75047 1.00000
Pr3 Pr 0.74935 0.25178 0.24953 1.00000
Pr4 Pr 0.16511 0.16893 0.50084 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.33290 0.33384 0.00035 1.00000
Sm3 Sm 0.41782 0.91534 0.24901 1.00000
Sm4 Sm 0.58218 0.08466 0.75099 1.00000
Sm5 Sm 0.66710 0.66616 0.99965 1.00000
Y1 Y 0.91658 0.41525 0.75158 1.00000
Y2 Y 0.08342 0.58475 0.24842 1.00000
Get direct link