Pu5Ir4
Alexandria ALEXAlex-ID: agm007806225 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_11_spg62
PuIr Pu5Ir3
2024-11-05 11:54:14.651436
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007806225).
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 agm007806225
data_agm007806225
_cell_length_a 7.18101
_cell_length_b 7.51892
_cell_length_c 14.41865
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 778.51248
_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 0.64090 0.67103 0.61953 1.00000
Pu2 Pu 0.14090 0.82897 0.88047 1.00000
Pu3 Pu 0.35910 0.32897 0.11953 1.00000
Pu4 Pu 0.85910 0.17103 0.38047 1.00000
Pu5 Pu 0.35910 0.32897 0.38047 1.00000
Pu6 Pu 0.85910 0.17103 0.11953 1.00000
Pu7 Pu 0.64090 0.67103 0.88047 1.00000
Pu8 Pu 0.14090 0.82897 0.61953 1.00000
Pu9 Pu 0.49760 0.17873 0.59433 1.00000
Pu10 Pu 0.99760 0.32127 0.90567 1.00000
Pu11 Pu 0.50240 0.82127 0.09433 1.00000
Pu12 Pu 0.00240 0.67873 0.40567 1.00000
Pu13 Pu 0.50240 0.82127 0.40567 1.00000
Pu14 Pu 0.00240 0.67873 0.09433 1.00000
Pu15 Pu 0.49760 0.17873 0.90567 1.00000
Pu16 Pu 0.99760 0.32127 0.59433 1.00000
Pu17 Pu 0.82208 0.00583 0.75000 1.00000
Pu18 Pu 0.32208 0.49417 0.75000 1.00000
Pu19 Pu 0.17792 0.99417 0.25000 1.00000
Pu20 Pu 0.67792 0.50583 0.25000 1.00000
Ir1 Ir 0.69274 0.46007 0.46645 1.00000
Ir2 Ir 0.19274 0.03993 0.03355 1.00000
Ir3 Ir 0.30726 0.53993 0.96645 1.00000
Ir4 Ir 0.80726 0.96007 0.53355 1.00000
Ir5 Ir 0.30726 0.53993 0.53355 1.00000
Ir6 Ir 0.80726 0.96007 0.96645 1.00000
Ir7 Ir 0.69274 0.46007 0.03355 1.00000
Ir8 Ir 0.19274 0.03993 0.46645 1.00000
Ir9 Ir 0.44809 0.88850 0.75000 1.00000
Ir10 Ir 0.94809 0.61150 0.75000 1.00000
Ir11 Ir 0.55191 0.11150 0.25000 1.00000
Ir12 Ir 0.05191 0.38850 0.25000 1.00000
Ir13 Ir 0.68817 0.34588 0.75000 1.00000
Ir14 Ir 0.18817 0.15412 0.75000 1.00000
Ir15 Ir 0.31183 0.65412 0.25000 1.00000
Ir16 Ir 0.81183 0.84588 0.25000 1.00000
