PuSn2Rh
Alexandria ALEXAlex-ID: agm005691316 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
Pu2Sn5Rh3 PuSnRh PuSn3
2023-07-13 23:46:45.481264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691316).
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 agm005691316
data_agm005691316
_cell_length_a 5.91079
_cell_length_b 7.32714
_cell_length_c 16.65604
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 721.35942
_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
Pu1 Pu 0.46505 0.25000 0.14229 1.00000
Pu2 Pu 0.96505 0.75000 0.35771 1.00000
Pu3 Pu 0.53495 0.75000 0.85771 1.00000
Pu4 Pu 0.03495 0.25000 0.64229 1.00000
Pu5 Pu 0.75682 0.25000 0.38909 1.00000
Pu6 Pu 0.25682 0.75000 0.11091 1.00000
Pu7 Pu 0.24318 0.75000 0.61091 1.00000
Pu8 Pu 0.74318 0.25000 0.88909 1.00000
Sn1 Sn 0.97773 0.04500 0.21490 1.00000
Sn2 Sn 0.47773 0.95500 0.28510 1.00000
Sn3 Sn 0.02227 0.54500 0.78510 1.00000
Sn4 Sn 0.52227 0.45500 0.71490 1.00000
Sn5 Sn 0.02227 0.95500 0.78510 1.00000
Sn6 Sn 0.52227 0.04500 0.71490 1.00000
Sn7 Sn 0.97773 0.45500 0.21490 1.00000
Sn8 Sn 0.47773 0.54500 0.28510 1.00000
Sn9 Sn 0.74665 0.54183 0.03299 1.00000
Sn10 Sn 0.24665 0.45817 0.46701 1.00000
Sn11 Sn 0.25335 0.04183 0.96701 1.00000
Sn12 Sn 0.75335 0.95817 0.53299 1.00000
Sn13 Sn 0.25335 0.45817 0.96701 1.00000
Sn14 Sn 0.75335 0.54183 0.53299 1.00000
Sn15 Sn 0.74665 0.95817 0.03299 1.00000
Sn16 Sn 0.24665 0.04183 0.46701 1.00000
Rh1 Rh 0.22119 0.25000 0.33074 1.00000
Rh2 Rh 0.72119 0.75000 0.16926 1.00000
Rh3 Rh 0.77881 0.75000 0.66926 1.00000
Rh4 Rh 0.27881 0.25000 0.83074 1.00000
Rh5 Rh 0.00715 0.25000 0.07626 1.00000
Rh6 Rh 0.50715 0.75000 0.42374 1.00000
Rh7 Rh 0.99285 0.75000 0.92374 1.00000
Rh8 Rh 0.49285 0.25000 0.57626 1.00000
