CePrSm2Y5
Alexandria ALEXAlex-ID: agm005176161 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Pr(SmY3)2 PrSmY4 Sm2Y Ce
2023-01-19 16:32:23.007775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176161).
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 agm005176161
data_agm005176161
_cell_length_a 8.70196
_cell_length_b 8.70196
_cell_length_c 10.01156
_cell_angle_alpha 115.75954
_cell_angle_beta 115.75954
_cell_angle_gamma 90.00000
_cell_volume 598.02527
_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
Ce1 Ce 0.25000 0.25000 0.50000 1.00000
Ce2 Ce 0.75000 0.75000 0.50000 1.00000
Pr1 Pr 0.25000 0.75000 0.50000 1.00000
Pr2 Pr 0.75000 0.25000 0.50000 1.00000
Sm1 Sm 0.11751 0.38249 0.00000 1.00000
Sm2 Sm 0.61751 0.11751 0.00000 1.00000
Sm3 Sm 0.38249 0.88249 1.00000 1.00000
Sm4 Sm 0.88249 0.61751 0.00000 1.00000
Y1 Y 0.92867 0.42867 0.27515 1.00000
Y2 Y 0.65352 0.15352 0.72485 1.00000
Y3 Y 0.07133 0.57133 0.72485 1.00000
Y4 Y 0.15352 0.07133 0.72485 1.00000
Y5 Y 0.57133 0.65352 0.72485 1.00000
Y6 Y 0.84648 0.92867 0.27515 1.00000
Y7 Y 0.42867 0.34648 0.27515 1.00000
Y8 Y 0.34648 0.84648 0.27515 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
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