Nd(PuI3)2
Alexandria ALEXAlex-ID: agm005758197 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_990_spg12
PuI2 NdI3 Pu
2023-07-07 12:22:43.581375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758197).
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 agm005758197
data_agm005758197
_cell_length_a 4.32035
_cell_length_b 8.92700
_cell_length_c 10.98251
_cell_angle_alpha 110.62863
_cell_angle_beta 90.00033
_cell_angle_gamma 104.00348
_cell_volume 382.93301
_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
Nd1 Nd 1.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.66492 0.32986 0.83090 1.00000
Pu2 Pu 0.33505 0.67016 0.16910 1.00000
I1 I 0.30520 0.61042 0.86659 1.00000
I2 I 0.69478 0.38960 0.13341 1.00000
I3 I 0.97494 0.94991 0.19815 1.00000
I4 I 0.64198 0.28396 0.53011 1.00000
I5 I 0.02505 0.05011 0.80186 1.00000
I6 I 0.35802 0.71604 0.46989 1.00000
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