Y3Pu7Ni4
Alexandria ALEXAlex-ID: agm010059636 · 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
A3B4C7_32_spg12
PuNi2 Pu YNi
2024-03-31 22:51:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010059636).
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 agm010059636
data_agm010059636
_cell_length_a 8.33763
_cell_length_b 8.33763
_cell_length_c 10.92537
_cell_angle_alpha 57.07805
_cell_angle_beta 57.07805
_cell_angle_gamma 29.13268
_cell_volume 305.94393
_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
Y1 Y 0.30478 0.30478 0.70169 1.00000
Y2 Y 0.69522 0.69522 0.29831 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.31203 0.31203 0.01686 1.00000
Pu2 Pu 0.46853 0.46853 0.31144 1.00000
Pu3 Pu 0.84794 0.84794 0.41598 1.00000
Pu4 Pu 0.68797 0.68797 0.98314 1.00000
Pu5 Pu 0.15206 0.15206 0.58402 1.00000
Pu6 Pu 0.00000 0.00000 0.50000 1.00000
Pu7 Pu 0.53147 0.53147 0.68856 1.00000
Ni1 Ni 0.65933 0.65933 0.77175 1.00000
Ni2 Ni 0.34067 0.34067 0.22825 1.00000
Ni3 Ni 0.90881 0.90881 0.81580 1.00000
Ni4 Ni 0.09119 0.09119 0.18420 1.00000
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