Pr4Al2In
Alexandria ALEXAlex-ID: agm006019052 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_118_spg166
Pr3In PrAl PrIn
2023-08-28 15:12:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019052).
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 agm006019052
data_agm006019052
_cell_length_a 5.32111
_cell_length_b 5.32111
_cell_length_c 9.12204
_cell_angle_alpha 73.04250
_cell_angle_beta 73.04251
_cell_angle_gamma 60.00001
_cell_volume 210.61337
_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 0.86908 0.86908 0.39276 1.00000
Pr2 Pr 0.13092 0.13092 0.60724 1.00000
Pr3 Pr 0.61624 0.61624 0.15128 1.00000
Pr4 Pr 0.38376 0.38376 0.84872 1.00000
Al1 Al 0.74680 0.74680 0.75959 1.00000
Al2 Al 0.25320 0.25320 0.24041 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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