LaPuGeRh
Alexandria ALEXAlex-ID: agm005209077 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1536_spg129
La4Ge3Rh4 Pu5Ge3 Pu
2022-07-10 12:40:03.686524
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005209077).
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 agm005209077
data_agm005209077
_cell_length_a 4.15091
_cell_length_b 4.15091
_cell_length_c 10.87855
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 187.43754
_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
La1 La 0.00000 0.50000 0.78022 1.00000
La2 La 0.50000 0.00000 0.21978 1.00000
Pu1 Pu 0.00000 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.50000 0.00000 0.94310 1.00000
Ge2 Ge 0.00000 0.50000 0.05690 1.00000
Rh1 Rh 0.00000 0.50000 0.28961 1.00000
Rh2 Rh 0.50000 0.00000 0.71039 1.00000
