PrPuIr
Alexandria ALEXAlex-ID: agm017483054 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10758_spg189
PrPuIr
2025-02-28 15:50:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017483054).
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 agm017483054
data_agm017483054
_cell_length_a 7.36296
_cell_length_b 7.36296
_cell_length_c 4.78584
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 224.69511
_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 0.41695 0.00000 0.50000 1.00000
Pr2 Pr 0.58305 0.58305 0.50000 1.00000
Pr3 Pr 0.00000 0.41695 0.50000 1.00000
Pu1 Pu 0.74979 0.00000 0.00000 1.00000
Pu2 Pu 0.25021 0.25021 0.00000 1.00000
Pu3 Pu 0.00000 0.74979 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ir2 Ir 0.66667 0.33333 0.00000 1.00000
Ir3 Ir 0.33333 0.66667 0.00000 1.00000
