Li2Pu3In7
Alexandria ALEXAlex-ID: agm026370381 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
LiPuIn2 PuIn3
2025-05-16 20:54:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026370381).
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 agm026370381
data_agm026370381
_cell_length_a 6.05605
_cell_length_b 6.05605
_cell_length_c 9.82833
_cell_angle_alpha 72.00356
_cell_angle_beta 107.99644
_cell_angle_gamma 120.00533
_cell_volume 291.61277
_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
Li1 Li 0.66544 0.33456 0.99387 1.00000
Li2 Li 0.33456 0.66544 0.00613 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.85871 0.14129 0.57666 1.00000
Pu3 Pu 0.14129 0.85871 0.42334 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.41699 0.07135 0.76321 1.00000
In3 In 0.92865 0.58301 0.76321 1.00000
In4 In 0.41784 0.58216 0.76465 1.00000
In5 In 0.58301 0.92865 0.23679 1.00000
In6 In 0.58216 0.41784 0.23535 1.00000
In7 In 0.07135 0.41699 0.23679 1.00000
Get direct link