Pu6Co
Alexandria ALEXAlex-ID: agm005222783 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_115_spg140
PuCo2 Pu
2023-05-06 16:40:35.878484
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222783).
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 agm005222783
data_agm005222783
_cell_length_a 7.86282
_cell_length_b 7.86282
_cell_length_c 7.86282
_cell_angle_alpha 96.31964
_cell_angle_beta 96.31964
_cell_angle_gamma 141.24684
_cell_volume 287.05328
_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 0.90347 0.59653 0.50000 1.00000
Pu2 Pu 0.09653 0.40347 0.50000 1.00000
Pu3 Pu 0.59653 0.09653 0.69305 1.00000
Pu4 Pu 0.40347 0.90347 0.30695 1.00000
Pu5 Pu 0.90326 0.21701 0.12027 1.00000
Pu6 Pu 0.09674 0.78299 0.87973 1.00000
Pu7 Pu 0.21701 0.09674 0.31375 1.00000
Pu8 Pu 0.59674 0.71701 0.31375 1.00000
Pu9 Pu 0.78299 0.90326 0.68625 1.00000
Pu10 Pu 0.40326 0.28299 0.68625 1.00000
Pu11 Pu 0.28299 0.59674 0.87973 1.00000
Pu12 Pu 0.71701 0.40326 0.12027 1.00000
Co1 Co 0.75000 0.75000 0.00000 1.00000
Co2 Co 0.25000 0.25000 0.00000 1.00000
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