Pu2TiHN3
Alexandria ALEXAlex-ID: agm006736670 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D3_2_spg71
PuHN PuN TiN
2024-01-03 00:05:39.075659
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006736670).
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 agm006736670
data_agm006736670
_cell_length_a 3.54223
_cell_length_b 3.89446
_cell_length_c 6.73334
_cell_angle_alpha 106.80960
_cell_angle_beta 105.25033
_cell_angle_gamma 90.00000
_cell_volume 85.49543
_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
H1 H 0.50000 0.00000 0.00000 1.00000
N1 N 0.00000 0.50000 0.00000 1.00000
N2 N 0.16939 0.16939 0.33878 1.00000
N3 N 0.83061 0.83061 0.66122 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.64838 0.64837 0.29675 1.00000
Pu2 Pu 0.35162 0.35163 0.70325 1.00000
获取直接链接