Pu5In3Ru
Alexandria ALEXAlex-ID: agm072248786 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_342_spg1
PuIn Pu2InRu Pu
2024-09-25 00:58:01.624721
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072248786).
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
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# CIF generated by HEAS from Alexandria entry agm072248786
data_agm072248786
_cell_length_a 6.06152
_cell_length_b 6.14069
_cell_length_c 6.52583
_cell_angle_alpha 85.74021
_cell_angle_beta 84.91452
_cell_angle_gamma 117.31363
_cell_volume 213.15144
_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 0.61176 0.95433 0.43884 1.00000
Pu2 Pu 0.29976 0.10368 0.19511 1.00000
Pu3 Pu 0.52384 0.88724 0.82964 1.00000
Pu4 Pu 0.68343 0.53155 0.09059 1.00000
Pu5 Pu 0.15180 0.48855 0.79288 1.00000
In1 In 0.13935 0.51307 0.28818 1.00000
In2 In 0.63211 0.43763 0.60236 1.00000
In3 In 0.06987 0.95907 0.69236 1.00000
Ru1 Ru 0.88553 0.09313 0.07130 1.00000
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