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V7Os

Alexandria ALEX

Alex-ID: agm007899282 · 空间群: R-3m (#166)

Alexandria Database API

基础信息

化学式
V7Os
Alex-ID
agm007899282
元素数
2
位点数
16
空间群
R-3m (#166)
晶系
trigonal
体积
215.40
ų
晶胞参数 a
5.9949
Å
晶胞参数 b
5.9949
Å
晶胞参数 c
5.9949
Å
α 角
89.35
°
β 角
89.35
°
γ 角
89.35
°

组成

元素组成（原子分数）
组成信息
化学式
V7Os
V
14.00 · 87.5%
Os
2.00 · 12.5%

能量与稳定性

凸包上方能量
0.0212
eV/atom
形成能
-0.1829
eV/atom
校正后总能量
-153.0456
eV
原始总能量
-153.0456
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0000
eV
费米能级态密度
20.6575
总磁矩
0.0002
μB

其他信息

原型 ID

AB7_17_spg166

分解产物

V7Os

计算时间

2024-05-05 22:26:30.167386

引用参考

Alexandria 官方页面
https://alexandria.icams.rub.de/
参考引用

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007899282).

文献引用

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

BibTeX 
@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...

样式: Ball & Stick
原始 CIF 数据 
# CIF generated by HEAS from Alexandria entry agm007899282
data_agm007899282
_cell_length_a     5.99485
_cell_length_b     5.99485
_cell_length_c     5.99485
_cell_angle_alpha  89.35321
_cell_angle_beta   89.35321
_cell_angle_gamma  89.35321
_cell_volume       215.40385
_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 0.37690 0.37690 0.37690 1.00000
  V2 V 0.37597 0.37597 0.87583 1.00000
  V3 V 0.37597 0.87583 0.37597 1.00000
  V4 V 0.37362 0.87552 0.87552 1.00000
  V5 V 0.12448 0.12448 0.62638 1.00000
  V6 V 0.12448 0.62638 0.12448 1.00000
  V7 V 0.12417 0.62403 0.62403 1.00000
  V8 V 0.87583 0.37597 0.37597 1.00000
  V9 V 0.87552 0.37362 0.87552 1.00000
  V10 V 0.87552 0.87552 0.37362 1.00000
  V11 V 0.62638 0.12448 0.12448 1.00000
  V12 V 0.62403 0.12417 0.62403 1.00000
  V13 V 0.62403 0.62403 0.12417 1.00000
  V14 V 0.62310 0.62310 0.62310 1.00000
  Os1 Os 0.12899 0.12899 0.12899 1.00000
  Os2 Os 0.87101 0.87101 0.87101 1.00000
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