Sr8HoRh4

Alexandria ALEX

Alex-ID: agm098106471 · 空间群: Pm (#6)

Alexandria Database API

基础信息

化学式

Sr8HoRh4

Alex-ID

agm098106471

元素数

位点数

空间群

Pm (#6)

晶系

monoclinic

体积

481.30

Å³

晶胞参数 a

4.3033

晶胞参数 b

11.3011

晶胞参数 c

11.3053

α 角

61.09

β 角

90.01

γ 角

90.02

组成

元素组成（原子分数）

组成信息

化学式

Sr8HoRh4

8.00 · 61.5%

1.00 · 7.7%

4.00 · 30.8%

能量与稳定性

凸包上方能量

0.0994

eV/atom

形成能

-0.2222

eV/atom

校正后总能量

-50.3889

原始总能量

-50.3889

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

7.8712

总磁矩

0.0000

μB

其他信息

原型 ID

AB4C8_1735_spg6

分解产物

Sr3Rh Sr5Rh2 HoRh

计算时间

2025-06-19 08:56:31

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: agm098106471).

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 agm098106471
data_agm098106471
_cell_length_a     4.30332
_cell_length_b     11.30110
_cell_length_c     11.30530
_cell_angle_alpha  61.09384
_cell_angle_beta   90.00958
_cell_angle_gamma  90.01739
_cell_volume       481.30419
_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
  Sr1 Sr 0.30674 0.17721 0.29930 1.00000
  Sr2 Sr 0.30817 0.78326 0.99377 1.00000
  Sr3 Sr 0.30856 0.45036 0.61104 1.00000
  Sr4 Sr 0.80714 0.10183 0.66485 1.00000
  Sr5 Sr 0.80835 0.86803 0.27996 1.00000
  Sr6 Sr 0.80725 0.48493 0.28146 1.00000
  Sr7 Sr 0.80713 0.45466 0.94106 1.00000
  Sr8 Sr 0.30659 0.80626 0.62138 1.00000
  Ho1 Ho 0.30874 0.14135 0.95503 1.00000
  Rh1 Rh 0.80862 0.98495 0.97464 1.00000
  Rh2 Rh 0.30719 0.48016 0.11090 1.00000
  Rh3 Rh 0.80887 0.27880 0.79829 1.00000
  Rh4 Rh 0.80665 0.98820 0.46834 1.00000

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