Pu11Ge10
Alexandria ALEXAlex-ID: agm007752295 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A10B11_0_spg139
PuGe Pu5Ge3
2024-09-14 09:11:29.722041
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752295).
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 agm007752295
data_agm007752295
_cell_length_a 11.14739
_cell_length_b 11.14739
_cell_length_c 11.14739
_cell_angle_alpha 120.26269
_cell_angle_beta 120.26269
_cell_angle_gamma 89.54561
_cell_volume 975.57720
_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 0.18822 0.93694 0.74872 1.00000
Pu2 Pu 0.18822 0.43951 0.25128 1.00000
Pu3 Pu 0.43951 0.18822 0.25128 1.00000
Pu4 Pu 0.93694 0.18822 0.74872 1.00000
Pu5 Pu 0.81178 0.06306 0.25128 1.00000
Pu6 Pu 0.81178 0.56049 0.74872 1.00000
Pu7 Pu 0.56049 0.81178 0.74872 1.00000
Pu8 Pu 0.06306 0.81178 0.25128 1.00000
Pu9 Pu 0.17440 0.82560 0.00000 1.00000
Pu10 Pu 0.82560 0.17440 0.00000 1.00000
Pu11 Pu 0.17440 0.17440 0.34880 1.00000
Pu12 Pu 0.82560 0.82560 0.65120 1.00000
Pu13 Pu 0.32731 0.32731 0.00000 1.00000
Pu14 Pu 0.67269 0.67269 0.00000 1.00000
Pu15 Pu 0.39661 0.07986 0.68326 1.00000
Pu16 Pu 0.39661 0.71335 0.31674 1.00000
Pu17 Pu 0.71335 0.39661 0.31674 1.00000
Pu18 Pu 0.07986 0.39661 0.68326 1.00000
Pu19 Pu 0.60339 0.92014 0.31674 1.00000
Pu20 Pu 0.60339 0.28665 0.68326 1.00000
Pu21 Pu 0.28665 0.60339 0.68326 1.00000
Pu22 Pu 0.92014 0.60339 0.31674 1.00000
Ge1 Ge 0.37131 0.00000 0.37131 1.00000
Ge2 Ge 0.62869 0.00000 0.62869 1.00000
Ge3 Ge 0.00000 0.37131 0.37131 1.00000
Ge4 Ge 0.00000 0.62869 0.62869 1.00000
Ge5 Ge 0.11114 0.11114 0.00000 1.00000
Ge6 Ge 0.88886 0.88886 0.00000 1.00000
Ge7 Ge 0.38332 0.61668 0.00000 1.00000
Ge8 Ge 0.61668 0.38332 0.00000 1.00000
Ge9 Ge 0.38332 0.38332 0.76665 1.00000
Ge10 Ge 0.61668 0.61668 0.23335 1.00000
Ge11 Ge 0.25000 0.75000 0.50000 1.00000
Ge12 Ge 0.75000 0.25000 0.50000 1.00000
Ge13 Ge 0.53811 0.10613 0.00000 1.00000
Ge14 Ge 0.10613 0.53811 0.00000 1.00000
Ge15 Ge 0.53811 0.53811 0.43198 1.00000
Ge16 Ge 0.10613 0.10613 0.56802 1.00000
Ge17 Ge 0.46189 0.89387 0.00000 1.00000
Ge18 Ge 0.89387 0.46189 0.00000 1.00000
Ge19 Ge 0.46189 0.46189 0.56802 1.00000
Ge20 Ge 0.89387 0.89387 0.43198 1.00000
