SbN

Alexandria ALEX

Alex-ID: agm080309727 · 空间群: P1 (#1)

Alexandria Database API

基础信息

化学式

SbN

Alex-ID

agm080309727

元素数

位点数

空间群

P1 (#1)

晶系

triclinic

体积

834.04

Å³

晶胞参数 a

10.2887

晶胞参数 b

10.3246

晶胞参数 c

10.1730

α 角

110.02

β 角

109.40

γ 角

108.77

组成

元素组成（原子分数）

组成信息

化学式

SbN

12.00 · 50.0%

能量与稳定性

凸包上方能量

0.0611

eV/atom

形成能

-0.0826

eV/atom

校正后总能量

-146.8802

原始总能量

-146.8802

电子结构

间接带隙

1.4428

直接带隙

1.5434

费米能级态密度

-0.0003

总磁矩

0.0000

μB

其他信息

原型 ID

AB_11744_spg1

分解产物

SbN

计算时间

2025-02-26 08:28:12

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: agm080309727).

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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# CIF generated by HEAS from Alexandria entry agm080309727
data_agm080309727
_cell_length_a     10.28871
_cell_length_b     10.32460
_cell_length_c     10.17299
_cell_angle_alpha  110.01952
_cell_angle_beta   109.40376
_cell_angle_gamma  108.77181
_cell_volume       834.04293
_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
  Sb1 Sb 0.15806 0.58435 0.57936 1.00000
  Sb2 Sb 0.14306 0.86527 0.40452 1.00000
  Sb3 Sb 0.43688 0.55911 0.71245 1.00000
  Sb4 Sb 0.07107 0.87319 0.11196 1.00000
  Sb5 Sb 0.42210 0.84019 0.42468 1.00000
  Sb6 Sb 0.71800 0.84698 0.26014 1.00000
  Sb7 Sb 0.12465 0.55809 0.27338 1.00000
  Sb8 Sb 0.79437 0.91427 0.03702 1.00000
  Sb9 Sb 0.41578 0.57279 0.99617 1.00000
  Sb10 Sb 0.12650 0.27965 0.53435 1.00000
  Sb11 Sb 0.43346 0.87351 0.15433 1.00000
  Sb12 Sb 0.10938 0.18928 0.22810 1.00000
  N1 N 0.23803 0.05043 0.89099 1.00000
  N2 N 0.27786 0.12866 0.84337 1.00000
  N3 N 0.69826 0.37167 0.63904 1.00000
  N4 N 0.82872 0.45019 0.71781 1.00000
  N5 N 0.84761 0.79622 0.67434 1.00000
  N6 N 0.84804 0.71472 0.56919 1.00000
  N7 N 0.67666 0.30705 0.94232 1.00000
  N8 N 0.62495 0.17750 0.89691 1.00000
  N9 N 0.97287 0.20281 0.84526 1.00000
  N10 N 0.86909 0.14974 0.72442 1.00000
  N11 N 0.62038 0.31978 0.26515 1.00000
  N12 N 0.54422 0.37453 0.27473 1.00000

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