DyBH6
Alexandria ALEXAlex-ID: agm079367462 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_236_spg2
DyH3 Dy(BH4)3
2025-06-26 14:08:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079367462).
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 agm079367462
data_agm079367462
_cell_length_a 3.74596
_cell_length_b 3.74768
_cell_length_c 6.54378
_cell_angle_alpha 108.56218
_cell_angle_beta 75.26739
_cell_angle_gamma 90.93798
_cell_volume 84.01451
_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
Dy1 Dy 0.68879 0.52931 0.21916 1.00000
B1 B 0.21085 0.00710 0.21925 1.00000
H1 H 0.33654 0.83049 0.58614 1.00000
H2 H 0.47956 0.73626 0.62451 1.00000
H3 H 0.12144 0.33724 0.35301 1.00000
H4 H 0.01182 0.96469 0.08569 1.00000
H5 H 0.75870 0.51162 0.84881 1.00000
H6 H 0.89230 0.33328 0.81343 1.00000
获取直接链接