Ac2Np2Ti3
Alexandria ALEXAlex-ID: agm008741663 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_28_spg12
Ac Np Ti
2024-03-08 12:27:54.379607
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008741663).
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 agm008741663
data_agm008741663
_cell_length_a 3.88395
_cell_length_b 6.61931
_cell_length_c 8.55999
_cell_angle_alpha 118.67705
_cell_angle_beta 89.99969
_cell_angle_gamma 107.05937
_cell_volume 181.96233
_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
Ac1 Ac 0.39151 0.78232 0.23761 1.00000
Ac2 Ac 0.60849 0.21768 0.76239 1.00000
Np1 Np 0.81324 0.62644 0.53854 1.00000
Np2 Np 0.18676 0.37356 0.46146 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ti2 Ti 0.65607 0.31177 0.18398 1.00000
Ti3 Ti 0.34393 0.68823 0.81602 1.00000
获取直接链接