Pr4Sm5Al
Alexandria ALEXAlex-ID: agm003661142 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_159_spg107
PrSm4 SmAl Pr
2022-04-06 04:08:49.833940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661142).
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 agm003661142
data_agm003661142
_cell_length_a 5.87115
_cell_length_b 8.19963
_cell_length_c 8.19963
_cell_angle_alpha 82.63595
_cell_angle_beta 69.02178
_cell_angle_gamma 69.02178
_cell_volume 344.14492
_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 0.45761 0.31002 0.69001 1.00000
Pr2 Pr 0.76762 0.69001 0.68998 1.00000
Pr3 Pr 0.14762 0.30999 0.31002 1.00000
Pr4 Pr 0.45764 0.68998 0.30999 1.00000
Sm1 Sm 0.78213 0.36483 0.99996 1.00000
Sm2 Sm 0.14696 0.99996 0.63517 1.00000
Sm3 Sm 0.78209 0.00004 0.36483 1.00000
Sm4 Sm 0.14692 0.63517 0.00004 1.00000
Sm5 Sm 0.65126 0.00000 0.00000 1.00000
Al1 Al 0.17045 1.00000 1.00000 1.00000
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