PrAlSi
Alexandria ALEXAlex-ID: agm070604166 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_619_spg9
PrAlSi
2025-04-13 21:02:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070604166).
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 agm070604166
data_agm070604166
_cell_length_a 7.92472
_cell_length_b 7.92472
_cell_length_c 7.92472
_cell_angle_alpha 148.82996
_cell_angle_beta 148.82996
_cell_angle_gamma 44.66166
_cell_volume 132.91934
_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 0.75000 0.25000 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.33552 0.83552 0.50000 1.00000
Al2 Al 0.16448 0.66448 0.50000 1.00000
Si1 Si 0.41948 0.41948 0.00000 1.00000
Si2 Si 0.58052 0.58052 0.00000 1.00000
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