Sm2PuRh3
Alexandria ALEXAlex-ID: agm017196842 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1840_spg65
SmPuRh2 SmRh
2025-04-14 06:34:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017196842).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm017196842
data_agm017196842
_cell_length_a 4.87583
_cell_length_b 7.04264
_cell_length_c 7.73864
_cell_angle_alpha 90.00000
_cell_angle_beta 108.20588
_cell_angle_gamma 90.00000
_cell_volume 252.43278
_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 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.00000 0.50000 0.00000 1.00000
Sm3 Sm 0.66612 0.50000 0.33234 1.00000
Sm4 Sm 0.33388 0.50000 0.66766 1.00000
Pu1 Pu 0.66545 0.00000 0.33152 1.00000
Pu2 Pu 0.33455 0.00000 0.66848 1.00000
Rh1 Rh 0.17080 0.23932 0.34199 1.00000
Rh2 Rh 0.50000 0.75443 0.00000 1.00000
Rh3 Rh 0.82920 0.76068 0.65801 1.00000
Rh4 Rh 0.17080 0.76068 0.34199 1.00000
Rh5 Rh 0.82920 0.23932 0.65801 1.00000
Rh6 Rh 0.50000 0.24557 0.00000 1.00000
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