VH7C2
Alexandria ALEXAlex-ID: agm006201451 · 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_864_spg1
V2HC VH2 H4C
2023-10-27 23:33:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201451).
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 agm006201451
data_agm006201451
_cell_length_a 3.47298
_cell_length_b 3.54097
_cell_length_c 10.13190
_cell_angle_alpha 111.63481
_cell_angle_beta 68.26461
_cell_angle_gamma 121.63541
_cell_volume 96.11479
_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 0.28835 0.74788 0.30736 1.00000
H2 H 0.46125 0.96451 0.75447 1.00000
H3 H 0.31106 0.39506 0.65031 1.00000
H4 H 0.87315 0.94098 0.27502 1.00000
H5 H 0.60664 0.85525 0.55962 1.00000
H6 H 0.65771 0.28866 0.28566 1.00000
H7 H 0.01414 0.68606 0.65660 1.00000
C1 C 0.34852 0.72490 0.65485 1.00000
C2 C 0.61310 0.93531 0.23403 1.00000
V1 V 0.05846 0.51877 0.09023 1.00000
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