Pu(HfSc3)2
Alexandria ALEXAlex-ID: agm005656289 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2214_spg15
Hf2Sc Pu Sc
2023-07-09 11:22:28.682377
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656289).
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 agm005656289
data_agm005656289
_cell_length_a 5.74978
_cell_length_b 8.70120
_cell_length_c 8.70120
_cell_angle_alpha 90.63962
_cell_angle_beta 88.12264
_cell_angle_gamma 88.12270
_cell_volume 434.82083
_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 0.25000 0.03729 0.96271 1.00000
Pu2 Pu 0.75000 0.96271 0.03729 1.00000
Hf1 Hf 0.56338 0.72736 0.85240 1.00000
Hf2 Hf 0.93662 0.14760 0.27264 1.00000
Hf3 Hf 0.43662 0.27264 0.14760 1.00000
Hf4 Hf 0.06338 0.85240 0.72736 1.00000
Sc1 Sc 0.92488 0.53069 0.66810 1.00000
Sc2 Sc 0.57512 0.33190 0.46931 1.00000
Sc3 Sc 0.07512 0.46931 0.33190 1.00000
Sc4 Sc 0.42488 0.66810 0.53069 1.00000
Sc5 Sc 0.90865 0.81232 0.39884 1.00000
Sc6 Sc 0.59135 0.60116 0.18768 1.00000
Sc7 Sc 0.09135 0.18768 0.60116 1.00000
Sc8 Sc 0.40865 0.39884 0.81232 1.00000
Sc9 Sc 0.10226 0.68302 0.03595 1.00000
Sc10 Sc 0.39774 0.96405 0.31698 1.00000
Sc11 Sc 0.89774 0.31698 0.96405 1.00000
Sc12 Sc 0.60226 0.03595 0.68302 1.00000
获取直接链接