Pu4HfGe4
Alexandria ALEXAlex-ID: agm013941665 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_32_spg62
Pu2Hf3Ge4 Pu5Ge3 PuGe
2024-11-15 06:04:25.064043
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013941665).
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 agm013941665
data_agm013941665
_cell_length_a 7.33137
_cell_length_b 8.12277
_cell_length_c 13.66186
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 813.57818
_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 0.83004 0.67726 0.36363 1.00000
Pu2 Pu 0.33004 0.82274 0.36363 1.00000
Pu3 Pu 0.16996 0.32274 0.86363 1.00000
Pu4 Pu 0.49946 0.68701 0.58246 1.00000
Pu5 Pu 0.99946 0.81299 0.91754 1.00000
Pu6 Pu 0.00054 0.18701 0.41754 1.00000
Pu7 Pu 0.00054 0.18701 0.08246 1.00000
Pu8 Pu 0.50054 0.31299 0.41754 1.00000
Pu9 Pu 0.66996 0.17726 0.63637 1.00000
Pu10 Pu 0.66996 0.17726 0.86363 1.00000
Pu11 Pu 0.49946 0.68701 0.91754 1.00000
Pu12 Pu 0.16996 0.32274 0.63637 1.00000
Pu13 Pu 0.99946 0.81299 0.58246 1.00000
Pu14 Pu 0.50054 0.31299 0.08246 1.00000
Pu15 Pu 0.83004 0.67726 0.13637 1.00000
Pu16 Pu 0.33004 0.82274 0.13637 1.00000
Hf1 Hf 0.15282 0.46855 0.25000 1.00000
Hf2 Hf 0.65282 0.03145 0.25000 1.00000
Hf3 Hf 0.84718 0.53145 0.75000 1.00000
Hf4 Hf 0.34718 0.96855 0.75000 1.00000
Ge1 Ge 0.16879 0.52684 0.04374 1.00000
Ge2 Ge 0.66879 0.97316 0.45626 1.00000
Ge3 Ge 0.79331 0.34731 0.25000 1.00000
Ge4 Ge 0.33121 0.02684 0.54374 1.00000
Ge5 Ge 0.83121 0.47316 0.54374 1.00000
Ge6 Ge 0.98588 0.06018 0.75000 1.00000
Ge7 Ge 0.20669 0.65269 0.75000 1.00000
Ge8 Ge 0.48588 0.43982 0.75000 1.00000
Ge9 Ge 0.29331 0.15269 0.25000 1.00000
Ge10 Ge 0.16879 0.52684 0.45626 1.00000
Ge11 Ge 0.66879 0.97316 0.04374 1.00000
Ge12 Ge 0.51412 0.56018 0.25000 1.00000
Ge13 Ge 0.83121 0.47316 0.95626 1.00000
Ge14 Ge 0.01412 0.93982 0.25000 1.00000
Ge15 Ge 0.33121 0.02684 0.95626 1.00000
Ge16 Ge 0.70669 0.84731 0.75000 1.00000
