Pu2Co7P4
Alexandria ALEXAlex-ID: agm024764077 · 空间群: Pmn2_1 (#31)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C7_9_spg31
Pu6Co20P13 Pu10Co28P19 Co
2024-10-01 23:53:35.148422
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024764077).
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 agm024764077
data_agm024764077
_cell_length_a 3.65268
_cell_length_b 9.03102
_cell_length_c 10.26763
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 338.70284
_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 0.00000 0.55602 0.00467 1.00000
Pu2 Pu 0.50000 0.44398 0.50467 1.00000
Pu3 Pu 0.00000 0.93605 0.78222 1.00000
Pu4 Pu 0.50000 0.06395 0.28222 1.00000
Co1 Co 0.00000 0.58604 0.31326 1.00000
Co2 Co 0.50000 0.41396 0.81326 1.00000
Co3 Co 0.00000 0.31485 0.26187 1.00000
Co4 Co 0.50000 0.68515 0.76187 1.00000
Co5 Co 0.00000 0.24987 0.90539 1.00000
Co6 Co 0.50000 0.75013 0.40539 1.00000
Co7 Co 0.00000 0.90025 0.07753 1.00000
Co8 Co 0.50000 0.09975 0.57753 1.00000
Co9 Co 0.00000 0.93733 0.47699 1.00000
Co10 Co 0.50000 0.06267 0.97699 1.00000
Co11 Co 0.00000 0.27410 0.67034 1.00000
Co12 Co 0.50000 0.72590 0.17034 1.00000
Co13 Co 0.00000 0.68834 0.57202 1.00000
Co14 Co 0.50000 0.31166 0.07202 1.00000
P1 P 0.00000 0.52387 0.72619 1.00000
P2 P 0.50000 0.47613 0.22619 1.00000
P3 P 0.00000 0.82129 0.28249 1.00000
P4 P 0.50000 0.17871 0.78249 1.00000
P5 P 0.00000 0.15180 0.09222 1.00000
P6 P 0.50000 0.84820 0.59222 1.00000
P7 P 0.00000 0.18922 0.46601 1.00000
P8 P 0.50000 0.81078 0.96601 1.00000
