K3Tb2Pu3
Alexandria ALEXAlex-ID: agm010010643 · 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
A2B3C3_1664_spg2
K Tb Pu
2024-05-29 19:38:50.329553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010010643).
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 agm010010643
data_agm010010643
_cell_length_a 10.22071
_cell_length_b 10.22071
_cell_length_c 10.55449
_cell_angle_alpha 58.33445
_cell_angle_beta 58.33445
_cell_angle_gamma 18.16061
_cell_volume 291.06114
_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
K1 K 0.85723 0.85723 0.36414 1.00000
K2 K 0.00000 0.00000 0.50000 1.00000
K3 K 0.14277 0.14277 0.63586 1.00000
Tb1 Tb 0.25469 0.25469 0.84932 1.00000
Tb2 Tb 0.74531 0.74531 0.15068 1.00000
Pu1 Pu 0.40903 0.40903 0.91348 1.00000
Pu2 Pu 0.59097 0.59097 0.08652 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
获取直接链接