Pu2U2Ti5
Alexandria ALEXAlex-ID: agm010058183 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_306_spg12
U2Ti Pu Ti
2024-04-06 15:04:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010058183).
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 agm010058183
data_agm010058183
_cell_length_a 4.77897
_cell_length_b 5.45921
_cell_length_c 7.47931
_cell_angle_alpha 83.17941
_cell_angle_beta 107.51948
_cell_angle_gamma 114.72887
_cell_volume 169.00949
_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 0.00628 0.63947 0.32538 1.00000
Pu2 Pu 0.99372 0.36053 0.67462 1.00000
U1 U 0.43239 0.56783 0.13943 1.00000
U2 U 0.56761 0.43217 0.86057 1.00000
Ti1 Ti 0.68803 0.79603 0.56072 1.00000
Ti2 Ti 0.31197 0.20397 0.43928 1.00000
Ti3 Ti 0.35341 0.90595 0.78654 1.00000
Ti4 Ti 0.64659 0.09405 0.21346 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
获取直接链接