K2Pu2I7
Alexandria ALEXAlex-ID: agm005570054 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_244_spg65
K(PuI3)2 KI
2023-06-04 15:33:48.374992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570054).
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 agm005570054
data_agm005570054
_cell_length_a 8.33284
_cell_length_b 7.84702
_cell_length_c 7.84701
_cell_angle_alpha 98.66745
_cell_angle_beta 89.99973
_cell_angle_gamma 90.00026
_cell_volume 507.24025
_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
K1 K 0.50000 0.75661 0.75661 1.00000
K2 K 0.50000 0.24339 0.24339 1.00000
Pu1 Pu 0.99999 0.72147 0.27853 1.00000
Pu2 Pu 0.00002 0.27853 0.72147 1.00000
I1 I 0.75738 0.00002 0.50001 1.00000
I2 I 0.24262 0.50001 0.00002 1.00000
I3 I 0.24262 0.99998 0.49999 1.00000
I4 I 0.75738 0.49999 0.99998 1.00000
I5 I 0.00000 0.00000 0.00000 1.00000
I6 I 0.22704 0.49999 0.50001 1.00000
I7 I 0.77296 0.50001 0.49999 1.00000
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