Pr2Y6Pu
Alexandria ALEXAlex-ID: agm005679573 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2203_spg12
Pr2Y7 PrY2 Pu
2023-07-10 17:32:15.408629
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679573).
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 agm005679573
data_agm005679573
_cell_length_a 7.49334
_cell_length_b 7.60515
_cell_length_c 12.85935
_cell_angle_alpha 126.35696
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 590.17572
_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
Pr1 Pr 0.49998 0.23458 0.23523 1.00000
Pr2 Pr 0.99998 0.26542 0.26477 1.00000
Pr3 Pr 0.00002 0.73458 0.73523 1.00000
Pr4 Pr 0.50002 0.76542 0.76477 1.00000
Y1 Y 1.00000 0.28074 0.78133 1.00000
Y2 Y 0.26958 0.27209 0.49970 1.00000
Y3 Y 0.23038 0.22789 0.00031 1.00000
Y4 Y 0.73038 0.27211 0.49969 1.00000
Y5 Y 0.76958 0.22791 0.00030 1.00000
Y6 Y 0.50000 0.21926 0.71867 1.00000
Y7 Y 0.00000 0.71926 0.21867 1.00000
Y8 Y 0.73042 0.72791 0.50030 1.00000
Y9 Y 0.76962 0.77211 0.99969 1.00000
Y10 Y 0.26962 0.72789 0.50031 1.00000
Y11 Y 0.23042 0.77209 0.99970 1.00000
Y12 Y 0.50000 0.78074 0.28133 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Pu2 Pu 0.00000 0.00000 0.50000 1.00000
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