Nd2PuThBi5
Alexandria ALEXAlex-ID: agm005175232 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_27_spg123
PuBi PuBi2 Th3Bi4 NdBi
2023-01-16 12:16:15.345481
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175232).
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 agm005175232
data_agm005175232
_cell_length_a 5.77302
_cell_length_b 5.77302
_cell_length_c 11.92705
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 397.50134
_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
Nd1 Nd 0.50000 0.50000 0.29083 1.00000
Nd2 Nd 0.50000 0.50000 0.70917 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
Bi2 Bi 0.50000 0.00000 0.50000 1.00000
Bi3 Bi 0.00000 0.00000 0.75433 1.00000
Bi4 Bi 0.00000 0.00000 0.24567 1.00000
Bi5 Bi 0.50000 0.50000 0.00000 1.00000
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