LiB4(H4Au)3
Alexandria ALEXAlex-ID: agm091540180 · 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
AB3C4D12_521_spg1
BH9 LiBH4 Li(BH)6 Au
2025-06-14 10:22:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091540180).
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 agm091540180
data_agm091540180
_cell_length_a 5.51807
_cell_length_b 9.67319
_cell_length_c 7.42681
_cell_angle_alpha 135.03400
_cell_angle_beta 96.32892
_cell_angle_gamma 105.73851
_cell_volume 241.58008
_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
Li1 Li 0.36834 0.07413 0.40060 1.00000
B1 B 0.63003 0.76050 0.76517 1.00000
B2 B 0.12379 0.68188 0.12712 1.00000
B3 B 0.29492 0.12204 0.14178 1.00000
B4 B 0.95912 0.95669 0.90050 1.00000
H1 H 0.10865 0.54211 0.89024 1.00000
H2 H 0.83362 0.73519 0.68613 1.00000
H3 H 0.40815 0.01300 0.09025 1.00000
H4 H 0.75264 0.98254 0.96893 1.00000
H5 H 0.32652 0.26816 0.38644 1.00000
H6 H 0.60847 0.70918 0.87180 1.00000
H7 H 0.04730 0.61275 0.22325 1.00000
H8 H 0.45899 0.24609 0.13993 1.00000
H9 H 0.03540 0.80360 0.17581 1.00000
H10 H 0.32401 0.30785 0.80789 1.00000
H11 H 0.90752 0.05422 0.58639 1.00000
H12 H 0.43088 0.67949 0.57520 1.00000
Au1 Au 0.67445 0.45428 0.99475 1.00000
Au2 Au 0.54870 0.86263 0.42954 1.00000
Au3 Au 0.15851 0.13365 0.83827 1.00000
获取直接链接