Pu6NpRh5
Alexandria ALEXAlex-ID: agm006115027 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
Pu Np PuRh
2023-09-19 07:38:14.740363
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115027).
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 agm006115027
data_agm006115027
_cell_length_a 4.96095
_cell_length_b 6.76018
_cell_length_c 7.52456
_cell_angle_alpha 85.69009
_cell_angle_beta 70.76379
_cell_angle_gamma 89.97867
_cell_volume 237.50777
_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
Np1 Np 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.68380 0.50857 0.63218 1.00000
Rh2 Rh 0.33456 0.01184 0.33111 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.66544 0.98816 0.66889 1.00000
Rh5 Rh 0.31620 0.49143 0.36782 1.00000
Pu1 Pu 0.84339 0.76436 0.31330 1.00000
Pu2 Pu 0.82972 0.24968 0.34076 1.00000
Pu3 Pu 0.50564 0.26375 0.98884 1.00000
Pu4 Pu 0.49436 0.73625 0.01116 1.00000
Pu5 Pu 0.17028 0.75032 0.65924 1.00000
Pu6 Pu 0.15661 0.23564 0.68670 1.00000
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