Pu8AgRh4
Alexandria ALEXAlex-ID: agm003672097 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_2_spg139
PuAg2 Pu PuRh
2022-04-21 10:00:20.811971
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672097).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003672097
data_agm003672097
_cell_length_a 5.76627
_cell_length_b 7.68416
_cell_length_c 7.68416
_cell_angle_alpha 81.90709
_cell_angle_beta 67.96303
_cell_angle_gamma 67.96303
_cell_volume 292.54555
_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 0.00000 0.32186 0.67814 1.00000
Pu2 Pu 1.00000 0.67814 0.32186 1.00000
Pu3 Pu 0.32186 0.67814 0.67814 1.00000
Pu4 Pu 0.67814 0.32186 0.32186 1.00000
Pu5 Pu 0.50000 0.80287 0.19713 1.00000
Pu6 Pu 0.50000 0.19713 0.80287 1.00000
Pu7 Pu 0.30287 0.19713 0.19713 1.00000
Pu8 Pu 0.69713 0.80287 0.80287 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Rh2 Rh 0.50000 0.00000 0.50000 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.50000 0.50000 0.00000 1.00000
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