U6Ga3NiRh4Pb
Alexandria ALEXAlex-ID: agm010590102 · 空间群: P-6m2 (#187)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D4E6_5_spg187
UGaRh U2Ga URh U2NiRh Pb
2024-07-11 06:21:42.917959
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010590102).
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 agm010590102
data_agm010590102
_cell_length_a 9.13748
_cell_length_b 9.13748
_cell_length_c 4.34947
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 314.49970
_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
U1 U 0.68782 0.84391 0.50000 1.00000
U2 U 0.15609 0.84391 0.50000 1.00000
U3 U 0.15609 0.31218 0.50000 1.00000
U4 U 0.42150 0.21075 0.00000 1.00000
U5 U 0.78925 0.21075 0.00000 1.00000
U6 U 0.78925 0.57850 0.00000 1.00000
Ga1 Ga 0.13419 0.56710 0.00000 1.00000
Ga2 Ga 0.43290 0.56710 0.00000 1.00000
Ga3 Ga 0.43290 0.86581 0.00000 1.00000
Ni1 Ni 0.66667 0.33333 0.50000 1.00000
Rh1 Rh 0.33333 0.66667 0.50000 1.00000
Rh2 Rh 0.97305 0.48652 0.50000 1.00000
Rh3 Rh 0.51348 0.48652 0.50000 1.00000
Rh4 Rh 0.51348 0.02695 0.50000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
获取直接链接