Pr4Sm3Y4
Alexandria ALEXAlex-ID: agm009229692 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
PrSm4 Pr PrY2
2024-05-06 01:30:31.406605
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009229692).
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 agm009229692
data_agm009229692
_cell_length_a 18.06763
_cell_length_b 18.06763
_cell_length_c 3.62280
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 161.33662
_cell_volume 378.44873
_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 0.40359 0.59641 0.50000 1.00000
Pr2 Pr 0.21988 0.78012 0.50000 1.00000
Pr3 Pr 0.78012 0.21988 0.50000 1.00000
Pr4 Pr 0.59641 0.40359 0.50000 1.00000
Sm1 Sm 0.86923 0.13077 0.00000 1.00000
Sm2 Sm 0.13077 0.86923 0.00000 1.00000
Sm3 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.95481 0.04519 0.50000 1.00000
Y2 Y 0.04519 0.95481 0.50000 1.00000
Y3 Y 0.68948 0.31052 0.00000 1.00000
Y4 Y 0.31052 0.68948 0.00000 1.00000
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