Pu2PaCo9
Alexandria ALEXAlex-ID: agm005931111 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_0_spg166
PuCo3 PaCo3
2023-07-24 06:52:51.004891
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005931111).
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 agm005931111
data_agm005931111
_cell_length_a 4.86923
_cell_length_b 4.86923
_cell_length_c 8.66511
_cell_angle_alpha 73.68204
_cell_angle_beta 73.68204
_cell_angle_gamma 60.00000
_cell_volume 168.29629
_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 0.86073 0.86073 0.41780 1.00000
Pu2 Pu 0.13927 0.13927 0.58220 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.66613 0.66613 0.00162 1.00000
Co2 Co 0.33387 0.33387 0.99838 1.00000
Co3 Co 0.50000 0.50000 0.50000 1.00000
Co4 Co 0.41722 0.41722 0.24640 1.00000
Co5 Co 0.91916 0.41722 0.24640 1.00000
Co6 Co 0.41722 0.91916 0.24640 1.00000
Co7 Co 0.58278 0.58278 0.75360 1.00000
Co8 Co 0.58278 0.08084 0.75360 1.00000
Co9 Co 0.08084 0.58278 0.75360 1.00000
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