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Eu2CrSbO7

Alexandria ALEX

Alex-ID: agm077701929 · 空间群: Imma (#74)

Alexandria Database API

基础信息

化学式
Eu2CrSbO7
Alex-ID
agm077701929
元素数
4
位点数
22
空间群
Imma (#74)
晶系
orthorhombic
体积
284.37
ų
晶胞参数 a
7.3836
Å
晶胞参数 b
7.3836
Å
晶胞参数 c
7.3836
Å
α 角
120.66
°
β 角
119.44
°
γ 角
89.92
°

组成

元素组成（原子分数）
组成信息
化学式
Eu2CrSbO7
Eu
4.00 · 18.2%
Cr
2.00 · 9.1%
Sb
2.00 · 9.1%
O
14.00 · 63.6%

能量与稳定性

凸包上方能量
0.0000
eV/atom
形成能
-2.6800
eV/atom
校正后总能量
-196.9637
eV
原始总能量
-183.1056
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0058
eV
费米能级态密度
27.1738
总磁矩
5.0920
μB

其他信息

原型 ID

ABC2D7_42_spg74

分解产物

Eu2CrSbO7

计算时间

2025-01-09 23:31:46

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: agm077701929).

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 agm077701929
data_agm077701929
_cell_length_a     7.38358
_cell_length_b     7.38358
_cell_length_c     7.38358
_cell_angle_alpha  120.66262
_cell_angle_beta   119.43931
_cell_angle_gamma  89.91503
_cell_volume       284.37384
_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
  Eu1 Eu 0.00000 0.50000 0.50000 1.00000
  Eu2 Eu 0.50000 0.50000 0.00000 1.00000
  Eu3 Eu 0.50000 0.00000 0.00000 1.00000
  Eu4 Eu 0.50000 0.50000 0.50000 1.00000
  Cr1 Cr 0.00000 0.50000 0.00000 1.00000
  Cr2 Cr 0.00000 0.00000 0.50000 1.00000
  Sb1 Sb 0.50000 0.00000 0.50000 1.00000
  Sb2 Sb 0.00000 0.00000 0.00000 1.00000
  O1 O 0.67030 0.32741 0.74772 1.00000
  O2 O 0.32970 0.67259 0.25228 1.00000
  O3 O 0.07968 0.92258 0.75228 1.00000
  O4 O 0.92032 0.07742 0.24772 1.00000
  O5 O 0.32970 0.07742 0.65711 1.00000
  O6 O 0.67030 0.92258 0.34289 1.00000
  O7 O 0.92032 0.67259 0.84289 1.00000
  O8 O 0.07968 0.32741 0.15711 1.00000
  O9 O 0.07388 0.32388 0.75000 1.00000
  O10 O 0.92612 0.67612 0.25000 1.00000
  O11 O 0.37464 0.62464 0.75000 1.00000
  O12 O 0.62536 0.37536 0.25000 1.00000
  O13 O 0.67190 0.92190 0.75000 1.00000
  O14 O 0.32810 0.07810 0.25000 1.00000
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