Pu3Zn6Ga5
Alexandria ALEXAlex-ID: agm005708952 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_16_spg59
Pu2ZnGa3 Pu2Zn17 PuGa3
2023-06-30 17:41:14.588467
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708952).
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 agm005708952
data_agm005708952
_cell_length_a 4.36629
_cell_length_b 9.41695
_cell_length_c 12.70092
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 522.22492
_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 0.00000 0.24953 0.69909 1.00000
Pu2 Pu 0.50000 0.75047 0.19909 1.00000
Pu3 Pu 0.50000 0.75047 0.80091 1.00000
Pu4 Pu 0.00000 0.24796 0.00000 1.00000
Pu5 Pu 0.50000 0.75204 0.50000 1.00000
Pu6 Pu 0.00000 0.24953 0.30091 1.00000
Zn1 Zn 0.00000 0.97572 0.85248 1.00000
Zn2 Zn 0.50000 0.02428 0.64752 1.00000
Zn3 Zn 0.50000 0.38835 0.84139 1.00000
Zn4 Zn 0.50000 0.55608 0.00000 1.00000
Zn5 Zn 0.00000 0.44392 0.50000 1.00000
Zn6 Zn 0.00000 0.61165 0.65861 1.00000
Zn7 Zn 0.00000 0.61165 0.34139 1.00000
Zn8 Zn 0.50000 0.94709 0.00000 1.00000
Zn9 Zn 0.00000 0.97572 0.14752 1.00000
Zn10 Zn 0.50000 0.38835 0.15861 1.00000
Zn11 Zn 0.00000 0.05291 0.50000 1.00000
Zn12 Zn 0.50000 0.02428 0.35248 1.00000
Ga1 Ga 0.00000 0.52894 0.85999 1.00000
Ga2 Ga 0.00000 0.87849 0.65606 1.00000
Ga3 Ga 0.00000 0.76064 0.00000 1.00000
Ga4 Ga 0.50000 0.47106 0.64001 1.00000
Ga5 Ga 0.50000 0.23936 0.50000 1.00000
Ga6 Ga 0.00000 0.52894 0.14001 1.00000
Ga7 Ga 0.50000 0.47106 0.35999 1.00000
Ga8 Ga 0.00000 0.87849 0.34394 1.00000
Ga9 Ga 0.50000 0.12151 0.84394 1.00000
Ga10 Ga 0.50000 0.12151 0.15606 1.00000
