Y2Pu3Ti2
Alexandria ALEXAlex-ID: agm009273191 · 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_195_spg12
Y Pu Ti
2024-03-21 19:25:03.446562
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009273191).
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 agm009273191
data_agm009273191
_cell_length_a 4.71553
_cell_length_b 5.71819
_cell_length_c 8.00745
_cell_angle_alpha 104.47886
_cell_angle_beta 126.08454
_cell_angle_gamma 65.62828
_cell_volume 158.93507
_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
Y1 Y 0.43120 0.29499 0.57869 1.00000
Y2 Y 0.56880 0.70501 0.42131 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.87215 0.45753 0.10081 1.00000
Pu3 Pu 0.12785 0.54247 0.89919 1.00000
Ti1 Ti 0.31634 0.90038 0.76647 1.00000
Ti2 Ti 0.68366 0.09962 0.23353 1.00000
获取直接链接