HoPu3(ZrAs3)2
Alexandria ALEXAlex-ID: agm043674650 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
HoPu5As6 PuZrAs2 HoAs
2024-10-26 09:24:28.406865
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043674650).
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 agm043674650
data_agm043674650
_cell_length_a 6.98746
_cell_length_b 6.98746
_cell_length_c 6.98677
_cell_angle_alpha 80.39735
_cell_angle_beta 80.39735
_cell_angle_gamma 119.98939
_cell_volume 278.53273
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.83619 0.16381 0.50000 1.00000
Pu2 Pu 0.16381 0.83619 0.50000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.66764 0.33236 0.00000 1.00000
Zr2 Zr 0.33236 0.66764 0.00000 1.00000
As1 As 0.57825 0.91931 0.24115 1.00000
As2 As 0.73752 0.73752 0.76227 1.00000
As3 As 0.42175 0.08069 0.75885 1.00000
As4 As 0.91931 0.57825 0.24115 1.00000
As5 As 0.26248 0.26248 0.23773 1.00000
As6 As 0.08069 0.42175 0.75885 1.00000
获取直接链接