Pu4Ir3Ru
Alexandria ALEXAlex-ID: agm006076802 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
PuIr PuRu
2023-10-04 16:09:44.133138
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006076802).
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 agm006076802
data_agm006076802
_cell_length_a 4.83960
_cell_length_b 4.83962
_cell_length_c 7.62316
_cell_angle_alpha 108.52762
_cell_angle_beta 108.52549
_cell_angle_gamma 89.97317
_cell_volume 159.51555
_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
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ir1 Ir 0.00000 0.50000 0.00000 1.00000
Ir2 Ir 0.74507 0.24497 0.49007 1.00000
Ir3 Ir 0.25493 0.75503 0.50993 1.00000
Pu1 Pu 0.37485 0.37487 0.74970 1.00000
Pu2 Pu 0.62515 0.62513 0.25030 1.00000
Pu3 Pu 0.12518 0.12516 0.25031 1.00000
Pu4 Pu 0.87482 0.87484 0.74969 1.00000
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