Pr3Al7In2
Alexandria ALEXAlex-ID: agm024357871 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
PrAl3 PrIn3
2025-05-15 09:45:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024357871).
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 agm024357871
data_agm024357871
_cell_length_a 5.81715
_cell_length_b 5.81715
_cell_length_c 9.83621
_cell_angle_alpha 71.81727
_cell_angle_beta 108.18273
_cell_angle_gamma 120.32998
_cell_volume 268.06108
_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 0.00000 0.00000 0.50000 1.00000
Pr2 Pr 0.86109 0.13891 0.07850 1.00000
Pr3 Pr 0.13891 0.86109 0.92150 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.41248 0.07544 0.23670 1.00000
Al3 Al 0.92456 0.58752 0.23670 1.00000
Al4 Al 0.41058 0.58942 0.23734 1.00000
Al5 Al 0.58752 0.92456 0.76330 1.00000
Al6 Al 0.58942 0.41058 0.76266 1.00000
Al7 Al 0.07544 0.41248 0.76330 1.00000
In1 In 0.66472 0.33528 0.49119 1.00000
In2 In 0.33528 0.66472 0.50881 1.00000
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