EuCu(WO4)2

Alexandria ALEX

Alex-ID: agm005242041 · 空间群: P-1 (#2)

Alexandria Database API

基础信息

化学式

EuCu(WO4)2

Alex-ID

agm005242041

元素数

位点数

空间群

P-1 (#2)

晶系

triclinic

体积

336.72

Å³

晶胞参数 a

7.3303

晶胞参数 b

7.4306

晶胞参数 c

7.7345

α 角

114.51

β 角

114.88

γ 角

91.83

组成

元素组成（原子分数）

组成信息

化学式

EuCu(WO4)2

2.00 · 8.3%

4.00 · 16.7%

16.00 · 66.7%

能量与稳定性

凸包上方能量

0.0047

eV/atom

形成能

-2.2291

eV/atom

校正后总能量

-213.5101

原始总能量

-184.8694

电子结构

间接带隙

0.0000

直接带隙

0.0022

费米能级态密度

38.7349

总磁矩

14.0374

μB

其他信息

原型 ID

ABC2D8_56_spg2

分解产物

EuCu(WO4)2

计算时间

2023-05-10 04:01:49.958785

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: agm005242041).

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 agm005242041
data_agm005242041
_cell_length_a     7.33031
_cell_length_b     7.43059
_cell_length_c     7.73451
_cell_angle_alpha  114.50657
_cell_angle_beta   114.87850
_cell_angle_gamma  91.82780
_cell_volume       336.71576
_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 0.18550 0.27977 0.46391 1.00000
  Eu2 Eu 0.81450 0.72023 0.53609 1.00000
  Cu1 Cu 0.21750 0.67704 0.94647 1.00000
  Cu2 Cu 0.78250 0.32296 0.05353 1.00000
  W1 W 0.27477 0.29980 0.04527 1.00000
  W2 W 0.72523 0.70020 0.95473 1.00000
  W3 W 0.64714 0.10298 0.29049 1.00000
  W4 W 0.35286 0.89702 0.70951 1.00000
  O1 O 0.20344 0.37936 0.83083 1.00000
  O2 O 0.79656 0.62064 0.16917 1.00000
  O3 O 0.46266 0.53526 0.26949 1.00000
  O4 O 0.53734 0.46474 0.73051 1.00000
  O5 O 0.85083 0.00280 0.19222 1.00000
  O6 O 0.14917 0.99720 0.80778 1.00000
  O7 O 0.70462 0.00814 0.47995 1.00000
  O8 O 0.29538 0.99186 0.52005 1.00000
  O9 O 0.17900 0.64058 0.55473 1.00000
  O10 O 0.82100 0.35942 0.44527 1.00000
  O11 O 0.47656 0.82122 0.00311 1.00000
  O12 O 0.52344 0.17878 0.99689 1.00000
  O13 O 0.05411 0.31129 0.10323 1.00000
  O14 O 0.94589 0.68871 0.89677 1.00000
  O15 O 0.38508 0.16430 0.25299 1.00000
  O16 O 0.61492 0.83570 0.74701 1.00000

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