Pu2B10Pt
Alexandria ALEXAlex-ID: agm017705758 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C10_80_spg55
PuB12 Pu(BPt3)2 PuB4
2025-03-02 06:51:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017705758).
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 agm017705758
data_agm017705758
_cell_length_a 4.17699
_cell_length_b 5.72783
_cell_length_c 11.37162
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 272.06740
_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 0.68526 0.85787 1.00000
Pu2 Pu 0.00000 0.31474 0.14213 1.00000
Pu3 Pu 0.00000 0.81474 0.35787 1.00000
Pu4 Pu 0.00000 0.18526 0.64213 1.00000
B1 B 0.50000 0.88387 0.54362 1.00000
B2 B 0.50000 0.11613 0.45638 1.00000
B3 B 0.50000 0.61613 0.04362 1.00000
B4 B 0.50000 0.38387 0.95638 1.00000
B5 B 0.50000 0.85957 0.69794 1.00000
B6 B 0.50000 0.14043 0.30206 1.00000
B7 B 0.50000 0.64043 0.19794 1.00000
B8 B 0.50000 0.35957 0.80206 1.00000
B9 B 0.50000 0.55315 0.69418 1.00000
B10 B 0.50000 0.44685 0.30582 1.00000
B11 B 0.50000 0.94685 0.19418 1.00000
B12 B 0.50000 0.05315 0.80582 1.00000
B13 B 0.80311 0.71826 0.61967 1.00000
B14 B 0.19689 0.28174 0.38033 1.00000
B15 B 0.80311 0.28174 0.38033 1.00000
B16 B 0.19689 0.78174 0.11967 1.00000
B17 B 0.19689 0.71826 0.61967 1.00000
B18 B 0.80311 0.21826 0.88033 1.00000
B19 B 0.19689 0.21826 0.88033 1.00000
B20 B 0.80311 0.78174 0.11967 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.50000 0.00000 0.00000 1.00000
