Pr5PuIn6
Alexandria ALEXAlex-ID: agm006116044 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Pr3In5 Pu PrIn
2023-08-28 23:56:58.504513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116044).
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 agm006116044
data_agm006116044
_cell_length_a 5.49867
_cell_length_b 7.77494
_cell_length_c 9.51891
_cell_angle_alpha 114.10847
_cell_angle_beta 106.68436
_cell_angle_gamma 90.01264
_cell_volume 352.58897
_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 0.66483 0.16487 0.32964 1.00000
Pr2 Pr 0.33284 0.33282 0.66576 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Pr4 Pr 0.66716 0.66718 0.33424 1.00000
Pr5 Pr 0.33517 0.83513 0.67036 1.00000
In1 In 0.83375 0.58400 0.66759 1.00000
In2 In 0.83378 0.08355 0.66754 1.00000
In3 In 0.50002 0.75090 0.00000 1.00000
In4 In 0.49998 0.24910 1.00000 1.00000
In5 In 0.16622 0.91645 0.33246 1.00000
In6 In 0.16625 0.41600 0.33241 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Get direct link