V8HC3
Alexandria ALEXAlex-ID: agm005996867 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_227_spg21
V4HC2 V V2C
2023-07-10 12:20:42.732186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996867).
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 agm005996867
data_agm005996867
_cell_length_a 4.72474
_cell_length_b 4.72474
_cell_length_c 5.85345
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.07330
_cell_volume 127.77751
_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 0.76113 0.23887 0.50000 1.00000
V2 V 0.77074 0.22926 0.00000 1.00000
V3 V 0.75294 0.72172 0.75342 1.00000
V4 V 0.72172 0.75295 0.24658 1.00000
V5 V 0.27828 0.24706 0.24658 1.00000
V6 V 0.24706 0.27828 0.75342 1.00000
V7 V 0.22926 0.77074 0.00000 1.00000
V8 V 0.23887 0.76113 0.50000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
C1 C 0.00000 0.50000 0.25682 1.00000
C2 C 0.50000 0.50000 0.00000 1.00000
C3 C 0.50000 0.00000 0.74318 1.00000
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