Np5UBi3
Alexandria ALEXAlex-ID: agm072829953 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_337_spg8
U2Bi Np2Bi
2024-09-23 20:47:15.015651
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072829953).
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 agm072829953
data_agm072829953
_cell_length_a 5.32126
_cell_length_b 6.42384
_cell_length_c 7.62095
_cell_angle_alpha 103.86496
_cell_angle_beta 111.91810
_cell_angle_gamma 99.19299
_cell_volume 225.47440
_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 0.44141 0.17174 0.56003 1.00000
Np2 Np 0.86410 0.40723 0.58639 1.00000
Np3 Np 0.17572 0.84242 0.13040 1.00000
Np4 Np 0.34996 0.74357 0.43017 1.00000
Np5 Np 0.63367 0.52744 0.30837 1.00000
U1 U 0.91212 0.09162 0.35037 1.00000
Bi1 Bi 0.93650 0.31200 0.03250 1.00000
Bi2 Bi 0.04712 0.94205 0.72169 1.00000
Bi3 Bi 0.51386 0.64704 0.87560 1.00000
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