SmPuIrI
Alexandria ALEXAlex-ID: agm005200873 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_347_spg1
Sm10Ir2I15 Sm2Pu3Ir4 Pu5Ir3 Sm3IrI3
2022-07-10 13:04:31.012068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200873).
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 agm005200873
data_agm005200873
_cell_length_a 4.10347
_cell_length_b 4.10399
_cell_length_c 8.41735
_cell_angle_alpha 89.99819
_cell_angle_beta 104.11578
_cell_angle_gamma 119.99875
_cell_volume 117.79575
_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
Sm1 Sm 0.50942 0.15265 0.67769 1.00000
Pu1 Pu 0.09037 0.94313 0.04875 1.00000
Ir1 Ir 0.30780 0.55183 0.87512 1.00000
I1 I 0.97031 0.38320 0.36811 1.00000
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