U2BH7
Alexandria ALEXAlex-ID: agm006197869 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1600_spg1
U(BH4)3 UB2 UH3
2023-10-25 07:13:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197869).
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 agm006197869
data_agm006197869
_cell_length_a 6.14165
_cell_length_b 5.44478
_cell_length_c 5.85014
_cell_angle_alpha 40.89031
_cell_angle_beta 38.08885
_cell_angle_gamma 56.34285
_cell_volume 78.59503
_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
H1 H 0.95285 0.27734 0.32166 1.00000
H2 H 0.21175 0.86343 0.25036 1.00000
H3 H 0.56156 0.14773 0.34115 1.00000
H4 H 0.28998 0.63290 0.65676 1.00000
H5 H 0.77442 0.73840 0.30386 1.00000
H6 H 0.11419 0.24366 0.76981 1.00000
H7 H 0.71469 0.21669 0.82826 1.00000
B1 B 0.82243 0.10481 0.01050 1.00000
U1 U 0.74119 0.68397 0.97493 1.00000
U2 U 0.31692 0.59106 0.04269 1.00000
获取直接链接