VH4
Alexandria ALEXAlex-ID: agm074285700 · 空间群: P6_222 (#180)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2698_spg180
VH2 H2
2025-06-13 13:31:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074285700).
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
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# CIF generated by HEAS from Alexandria entry agm074285700
data_agm074285700
_cell_length_a 2.75459
_cell_length_b 2.75459
_cell_length_c 14.31002
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 94.03414
_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 0.00000 0.50000 1.00000
V2 V 0.00000 0.50000 0.16667 1.00000
V3 V 0.50000 0.50000 0.83333 1.00000
H1 H 0.16692 0.33383 0.42603 1.00000
H2 H 0.66617 0.83309 0.09269 1.00000
H3 H 0.16691 0.83308 0.75936 1.00000
H4 H 0.83308 0.66617 0.42603 1.00000
H5 H 0.33383 0.16691 0.09269 1.00000
H6 H 0.83309 0.16692 0.75936 1.00000
H7 H 0.33383 0.16692 0.24064 1.00000
H8 H 0.83309 0.66617 0.57397 1.00000
H9 H 0.83308 0.16691 0.90731 1.00000
H10 H 0.66617 0.83308 0.24064 1.00000
H11 H 0.16691 0.33383 0.57397 1.00000
H12 H 0.16692 0.83309 0.90731 1.00000
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