Pu2CuPt6
Alexandria ALEXAlex-ID: agm005751629 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_724_spg12
PuPt3 CuPt PuPt2
2023-07-07 00:02:11.132675
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751629).
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 agm005751629
data_agm005751629
_cell_length_a 5.54677
_cell_length_b 5.51297
_cell_length_c 6.44410
_cell_angle_alpha 78.28411
_cell_angle_beta 90.00000
_cell_angle_gamma 120.20302
_cell_volume 165.53746
_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 0.64740 0.29480 0.12753 1.00000
Pu2 Pu 0.35260 0.70520 0.87247 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.87854 0.26632 0.68206 1.00000
Pt2 Pt 0.88017 0.76034 0.68970 1.00000
Pt3 Pt 0.38778 0.26632 0.68206 1.00000
Pt4 Pt 0.12146 0.73368 0.31794 1.00000
Pt5 Pt 0.11983 0.23966 0.31030 1.00000
Pt6 Pt 0.61222 0.73368 0.31794 1.00000
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