V(CuH2)4
Alexandria ALEXAlex-ID: agm007341464 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_16_spg12
CuH4 VH2 Cu
2024-02-08 07:47:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007341464).
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 agm007341464
data_agm007341464
_cell_length_a 4.80677
_cell_length_b 4.80940
_cell_length_c 5.81736
_cell_angle_alpha 53.20331
_cell_angle_beta 79.47158
_cell_angle_gamma 92.95985
_cell_volume 103.63711
_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
V1 V 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.43271 0.78217 0.79138 1.00000
Cu2 Cu 0.07347 0.72414 0.20883 1.00000
Cu3 Cu 0.92653 0.27586 0.79117 1.00000
Cu4 Cu 0.56729 0.21783 0.20862 1.00000
H1 H 0.79484 0.93634 0.22888 1.00000
H2 H 0.33438 0.47477 0.22938 1.00000
H3 H 0.67842 0.12014 0.70073 1.00000
H4 H 0.20516 0.06366 0.77112 1.00000
H5 H 0.21911 0.53231 0.74868 1.00000
H6 H 0.32158 0.87986 0.29927 1.00000
H7 H 0.78089 0.46769 0.25132 1.00000
H8 H 0.66562 0.52523 0.77062 1.00000
获取直接链接