Ag(W3Br7)2
传统材料 TRAMP-ID: mp-29717 · 空间群: Pn-3 (#201)
基础信息
化学式
Ag(W3Br7)2
MP-ID
mp-29717
元素数
3
位点数
84
密度
5.9379
g/cm³
体积
2,605.86
ų
晶胞参数 a
13.7610
Å
晶胞参数 b
13.7610
Å
晶胞参数 c
13.7610
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pn-3
点群
m-3
晶体系统
Cubic
Bravais 格子
cP
稳定性
No
堆积分数
0.5236
能量属性
形成能/原子
-0.82517
eV/atom
能量/原子
-5.75417
eV/atom
凸包距离
0.0146
eV/atom
未修正能量
-5.3982
eV/atom
体积/原子
31.02
ų
c/a 比
1.0000
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
No
总磁矩
0.0209
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
Br · 0.667
元素家族
N/A
溶质分数
0.333
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.647
家族
Br-rich Multi-Component
基质元素
Br · 0.667
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-29717
参考引用
The crystal structure and related material properties of Ag(W3Br7)2 were obtained from the Materials Project database (MP-ID: mp-29717, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Ag(W3Br7)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.76100300
_cell_length_b 13.76100300
_cell_length_c 13.76100300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag(W3Br7)2
_chemical_formula_sum 'Ag4 W24 Br56'
_cell_volume 2605.85513437
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.25000000 0.75000000 0.75000000 1.0
Ag Ag1 1 0.75000000 0.25000000 0.75000000 1.0
Ag Ag2 1 0.75000000 0.75000000 0.25000000 1.0
Ag Ag3 1 0.25000000 0.25000000 0.25000000 1.0
W W4 1 0.88171700 0.72709800 0.78083800 1.0
W W5 1 0.78083800 0.88171700 0.72709800 1.0
W W6 1 0.72709800 0.78083800 0.88171700 1.0
W W7 1 0.27290200 0.21916200 0.88171700 1.0
W W8 1 0.78083800 0.11828300 0.27290200 1.0
W W9 1 0.27290200 0.78083800 0.11828300 1.0
W W10 1 0.21916200 0.11828300 0.72709800 1.0
W W11 1 0.21916200 0.88171700 0.27290200 1.0
W W12 1 0.72709800 0.21916200 0.11828300 1.0
W W13 1 0.88171700 0.27290200 0.21916200 1.0
W W14 1 0.11828300 0.72709800 0.21916200 1.0
W W15 1 0.11828300 0.27290200 0.78083800 1.0
W W16 1 0.61828300 0.77290200 0.71916200 1.0
W W17 1 0.71916200 0.61828300 0.77290200 1.0
W W18 1 0.77290200 0.71916200 0.61828300 1.0
W W19 1 0.22709800 0.28083800 0.61828300 1.0
W W20 1 0.71916200 0.38171700 0.22709800 1.0
W W21 1 0.22709800 0.71916200 0.38171700 1.0
W W22 1 0.28083800 0.38171700 0.77290200 1.0
W W23 1 0.28083800 0.61828300 0.22709800 1.0
W W24 1 0.77290200 0.28083800 0.38171700 1.0
W W25 1 0.61828300 0.22709800 0.28083800 1.0
W W26 1 0.38171700 0.77290200 0.28083800 1.0
W W27 1 0.38171700 0.22709800 0.71916200 1.0
Br Br28 1 0.88736800 0.88736800 0.88736800 1.0
Br Br29 1 0.11263200 0.11263200 0.88736800 1.0
Br Br30 1 0.88736800 0.11263200 0.11263200 1.0
Br Br31 1 0.11263200 0.88736800 0.11263200 1.0
Br Br32 1 0.61263200 0.61263200 0.61263200 1.0
Br Br33 1 0.38736800 0.38736800 0.61263200 1.0
Br Br34 1 0.61263200 0.38736800 0.38736800 1.0
Br Br35 1 0.38736800 0.61263200 0.38736800 1.0
Br Br36 1 0.93328300 0.82474400 0.62320000 1.0
Br Br37 1 0.62320000 0.93328300 0.82474400 1.0
Br Br38 1 0.82474400 0.62320000 0.93328300 1.0
Br Br39 1 0.17525600 0.37680000 0.93328300 1.0
Br Br40 1 0.62320000 0.06671700 0.17525600 1.0
Br Br41 1 0.17525600 0.62320000 0.06671700 1.0
Br Br42 1 0.37680000 0.06671700 0.82474400 1.0
Br Br43 1 0.37680000 0.93328300 0.17525600 1.0
Br Br44 1 0.82474400 0.37680000 0.06671700 1.0
Br Br45 1 0.93328300 0.17525600 0.37680000 1.0
Br Br46 1 0.06671700 0.82474400 0.37680000 1.0
Br Br47 1 0.06671700 0.17525600 0.62320000 1.0
Br Br48 1 0.56671700 0.67525600 0.87680000 1.0
Br Br49 1 0.87680000 0.56671700 0.67525600 1.0
Br Br50 1 0.67525600 0.87680000 0.56671700 1.0
Br Br51 1 0.32474400 0.12320000 0.56671700 1.0
Br Br52 1 0.87680000 0.43328300 0.32474400 1.0
Br Br53 1 0.32474400 0.87680000 0.43328300 1.0
Br Br54 1 0.12320000 0.43328300 0.67525600 1.0
Br Br55 1 0.12320000 0.56671700 0.32474400 1.0
Br Br56 1 0.67525600 0.12320000 0.43328300 1.0
Br Br57 1 0.56671700 0.32474400 0.12320000 1.0
Br Br58 1 0.43328300 0.67525600 0.12320000 1.0
Br Br59 1 0.43328300 0.32474400 0.87680000 1.0
Br Br60 1 0.06189700 0.69250900 0.82789000 1.0
Br Br61 1 0.82789000 0.06189700 0.69250900 1.0
Br Br62 1 0.69250900 0.82789000 0.06189700 1.0
Br Br63 1 0.30749100 0.17211000 0.06189700 1.0
Br Br64 1 0.82789000 0.93810300 0.30749100 1.0
Br Br65 1 0.30749100 0.82789000 0.93810300 1.0
Br Br66 1 0.17211000 0.93810300 0.69250900 1.0
Br Br67 1 0.17211000 0.06189700 0.30749100 1.0
Br Br68 1 0.69250900 0.17211000 0.93810300 1.0
Br Br69 1 0.06189700 0.30749100 0.17211000 1.0
Br Br70 1 0.93810300 0.69250900 0.17211000 1.0
Br Br71 1 0.93810300 0.30749100 0.82789000 1.0
Br Br72 1 0.43810300 0.80749100 0.67211000 1.0
Br Br73 1 0.67211000 0.43810300 0.80749100 1.0
Br Br74 1 0.80749100 0.67211000 0.43810300 1.0
Br Br75 1 0.19250900 0.32789000 0.43810300 1.0
Br Br76 1 0.67211000 0.56189700 0.19250900 1.0
Br Br77 1 0.19250900 0.67211000 0.56189700 1.0
Br Br78 1 0.32789000 0.56189700 0.80749100 1.0
Br Br79 1 0.32789000 0.43810300 0.19250900 1.0
Br Br80 1 0.80749100 0.32789000 0.56189700 1.0
Br Br81 1 0.43810300 0.19250900 0.32789000 1.0
Br Br82 1 0.56189700 0.80749100 0.32789000 1.0
Br Br83 1 0.56189700 0.19250900 0.67211000 1.0