VIn(H3Os)2
Alexandria ALEXAlex-ID: agm008028362 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1970_spg15
VH2 InH6Os Os In
2024-03-21 08:58:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008028362).
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 agm008028362
data_agm008028362
_cell_length_a 8.17786
_cell_length_b 8.17786
_cell_length_c 4.42625
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 138.62166
_cell_volume 195.67484
_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 0.05215 0.94785 0.25000 1.00000
V2 V 0.94785 0.05215 0.75000 1.00000
In1 In 0.64538 0.35462 0.25000 1.00000
In2 In 0.35462 0.64538 0.75000 1.00000
H1 H 0.63112 0.99897 0.46064 1.00000
H2 H 0.00103 0.36888 0.03936 1.00000
H3 H 0.36888 0.00103 0.53936 1.00000
H4 H 0.99897 0.63112 0.96064 1.00000
H5 H 0.76156 0.76156 0.50000 1.00000
H6 H 0.23844 0.23844 0.00000 1.00000
H7 H 0.23844 0.23844 0.50000 1.00000
H8 H 0.76156 0.76156 0.00000 1.00000
H9 H 0.63112 0.99897 0.03936 1.00000
H10 H 0.00103 0.36888 0.46064 1.00000
H11 H 0.36888 0.00103 0.96064 1.00000
H12 H 0.99897 0.63112 0.53936 1.00000
Os1 Os 0.85141 0.65339 0.75000 1.00000
Os2 Os 0.34661 0.14859 0.75000 1.00000
Os3 Os 0.14859 0.34661 0.25000 1.00000
Os4 Os 0.65339 0.85141 0.25000 1.00000
获取直接链接