Pr3SmY8
Alexandria ALEXAlex-ID: agm017490303 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_849_spg6
PrSmY4 PrY2
2025-03-01 00:41:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017490303).
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
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# CIF generated by HEAS from Alexandria entry agm017490303
data_agm017490303
_cell_length_a 8.97476
_cell_length_b 3.64683
_cell_length_c 12.60300
_cell_angle_alpha 90.00000
_cell_angle_beta 103.54960
_cell_angle_gamma 90.00000
_cell_volume 401.00887
_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 0.00052 0.00000 0.12680 1.00000
Pr2 Pr 0.66734 0.00000 0.73563 1.00000
Pr3 Pr 0.00775 0.50000 0.87500 1.00000
Sm1 Sm 0.33725 0.50000 0.26506 1.00000
Y1 Y 0.33995 0.00000 0.01549 1.00000
Y2 Y 0.00157 0.50000 0.37721 1.00000
Y3 Y 0.66846 0.00000 0.23764 1.00000
Y4 Y 0.66712 0.50000 0.48454 1.00000
Y5 Y 0.33629 0.00000 0.51380 1.00000
Y6 Y 0.33474 0.50000 0.76277 1.00000
Y7 Y 0.66573 0.50000 0.98699 1.00000
Y8 Y 0.00358 0.00000 0.62249 1.00000
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