Sm2PuBi3
Alexandria ALEXAlex-ID: agm005660740 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
PuBi SmBi
2023-08-25 00:37:15.411713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660740).
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 agm005660740
data_agm005660740
_cell_length_a 7.88711
_cell_length_b 7.88711
_cell_length_c 14.38169
_cell_angle_alpha 100.54417
_cell_angle_beta 100.54418
_cell_angle_gamma 109.42929
_cell_volume 800.23292
_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 0.99954 0.49954 0.99907 1.00000
Sm2 Sm 0.41715 0.41715 0.83430 1.00000
Sm3 Sm 0.83285 0.33285 0.66570 1.00000
Sm4 Sm 0.25046 0.25046 0.50093 1.00000
Sm5 Sm 0.74954 0.74954 0.49907 1.00000
Sm6 Sm 0.66715 0.16715 0.33430 1.00000
Sm7 Sm 0.58285 0.58285 0.16570 1.00000
Sm8 Sm 0.50046 0.00046 0.00093 1.00000
Pu1 Pu 0.91656 0.91656 0.83312 1.00000
Pu2 Pu 0.33344 0.83344 0.66688 1.00000
Pu3 Pu 0.16656 0.66656 0.33312 1.00000
Pu4 Pu 0.08344 0.08344 0.16688 1.00000
Bi1 Bi 0.16584 0.66858 0.83225 1.00000
Bi2 Bi 0.66641 0.16367 0.83225 1.00000
Bi3 Bi 0.08416 0.08142 0.66775 1.00000
Bi4 Bi 0.58359 0.58633 0.66775 1.00000
Bi5 Bi 0.00261 0.50261 0.50000 1.00000
Bi6 Bi 0.49739 0.99739 0.50000 1.00000
Bi7 Bi 0.41367 0.41641 0.33225 1.00000
Bi8 Bi 0.91858 0.91584 0.33225 1.00000
Bi9 Bi 0.83633 0.33359 0.16775 1.00000
Bi10 Bi 0.33142 0.83416 0.16775 1.00000
Bi11 Bi 0.24739 0.24739 0.00000 1.00000
Bi12 Bi 0.75261 0.75261 1.00000 1.00000
