Pr4SmAl4
Alexandria ALEXAlex-ID: agm003595035 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_205_spg86
SmAl Pr PrAl
2022-04-04 14:16:45.586780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003595035).
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 agm003595035
data_agm003595035
_cell_length_a 6.12480
_cell_length_b 8.97498
_cell_length_c 8.97498
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 493.35429
_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 0.37888 0.42613 0.82788 1.00000
Pr2 Pr 0.87888 0.67212 0.92613 1.00000
Pr3 Pr 0.37888 0.57387 0.17212 1.00000
Pr4 Pr 0.12112 0.07387 0.67212 1.00000
Pr5 Pr 0.62112 0.82788 0.57387 1.00000
Pr6 Pr 0.12112 0.92613 0.32788 1.00000
Pr7 Pr 0.87888 0.32788 0.07387 1.00000
Pr8 Pr 0.62112 0.17212 0.42613 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.59886 0.91031 0.18704 1.00000
Al2 Al 0.59886 0.08969 0.81296 1.00000
Al3 Al 0.09886 0.68704 0.58969 1.00000
Al4 Al 0.90114 0.41031 0.68704 1.00000
Al5 Al 0.90114 0.58969 0.31296 1.00000
Al6 Al 0.40114 0.18704 0.08969 1.00000
Al7 Al 0.40114 0.81296 0.91031 1.00000
Al8 Al 0.09886 0.31296 0.41031 1.00000
Get direct link