Pu3Re2Si3
Alexandria ALEXAlex-ID: agm009651284 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_64_spg63
Pu2Re3Si4 Pu(Re2Si)2 Pu4ReSi3
2024-06-01 21:07:53.917125
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009651284).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009651284
data_agm009651284
_cell_length_a 5.58020
_cell_length_b 5.58020
_cell_length_c 13.85676
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.65368
_cell_volume 301.60204
_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 0.58532 0.41468 0.37828 1.00000
Pu2 Pu 0.41468 0.58532 0.87828 1.00000
Pu3 Pu 0.58532 0.41468 0.12172 1.00000
Pu4 Pu 0.41468 0.58532 0.62172 1.00000
Pu5 Pu 0.89984 0.10016 0.25000 1.00000
Pu6 Pu 0.10016 0.89984 0.75000 1.00000
Re1 Re 0.71444 0.28556 0.91852 1.00000
Re2 Re 0.28556 0.71444 0.41852 1.00000
Re3 Re 0.71444 0.28556 0.58148 1.00000
Re4 Re 0.28556 0.71444 0.08148 1.00000
Si1 Si 0.89293 0.10707 0.46104 1.00000
Si2 Si 0.10707 0.89293 0.96104 1.00000
Si3 Si 0.89293 0.10707 0.03896 1.00000
Si4 Si 0.10707 0.89293 0.53896 1.00000
Si5 Si 0.20083 0.79917 0.25000 1.00000
Si6 Si 0.79917 0.20083 0.75000 1.00000
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