Pr4SmY3
Alexandria ALEXAlex-ID: agm017049720 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_418_spg12
PrSm4 Pr PrY2
2025-07-01 13:53:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017049720).
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 agm017049720
data_agm017049720
_cell_length_a 12.37157
_cell_length_b 12.37157
_cell_length_c 6.33586
_cell_angle_alpha 75.05678
_cell_angle_beta 104.94322
_cell_angle_gamma 162.91323
_cell_volume 275.07150
_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 0.12427 0.87573 0.78875 1.00000
Pr2 Pr 0.87573 0.12427 0.21125 1.00000
Pr3 Pr 0.24899 0.75101 0.25104 1.00000
Pr4 Pr 0.75101 0.24899 0.74896 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.37654 0.62346 0.71120 1.00000
Y3 Y 0.62346 0.37654 0.28880 1.00000
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