Pr3(AlSi)4
Alexandria ALEXAlex-ID: agm002249059 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
PrAlSi Si Al
2018-10-21 10:25:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002249059).
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 agm002249059
data_agm002249059
_cell_length_a 4.21882
_cell_length_b 4.18507
_cell_length_c 13.27819
_cell_angle_alpha 99.29997
_cell_angle_beta 95.39920
_cell_angle_gamma 90.17671
_cell_volume 230.29269
_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 0.91881 0.35647 0.71804 1.00000
Pr2 Pr 0.08118 0.64350 0.28196 1.00000
Pr3 Pr 0.99999 0.99999 1.00000 1.00000
Si1 Si 0.46830 0.45358 0.90853 1.00000
Si2 Si 0.53168 0.54640 0.09147 1.00000
Si3 Si 0.35752 0.80971 0.62332 1.00000
Si4 Si 0.64246 0.19026 0.37668 1.00000
Al1 Al 0.45104 0.90401 0.81233 1.00000
Al2 Al 0.21488 0.24864 0.49946 1.00000
Al3 Al 0.78510 0.75133 0.50054 1.00000
Al4 Al 0.54895 0.09596 0.18767 1.00000
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