Sn(WO3)18
传统材料 TRAMP-ID: mp-685528 · 空间群: Pmmn (#59)
基础信息
化学式
Sn(WO3)18
MP-ID
mp-685528
元素数
3
位点数
146
密度
6.2974
g/cm³
体积
2,263.36
ų
晶胞参数 a
7.5083
Å
晶胞参数 b
13.0076
Å
晶胞参数 c
23.1749
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pmmn
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-2.15488
eV/atom
能量/原子
-9.06510
eV/atom
凸包距离
0.0199
eV/atom
未修正能量
-7.4626
eV/atom
体积/原子
15.50
ų
c/a 比
3.0866
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
0.1695
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000070
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
O · 0.740
元素家族
N/A
溶质分数
0.260
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.690
家族
O-rich Multi-Component
基质元素
O · 0.740
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-685528
参考引用
The crystal structure and related material properties of Sn(WO3)18 were obtained from the Materials Project database (MP-ID: mp-685528, 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
加载 3D 结构...
样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Sn(WO3)18
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50824900
_cell_length_b 13.00762600
_cell_length_c 23.17489700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn(WO3)18
_chemical_formula_sum 'Sn2 W36 O108'
_cell_volume 2263.36461002
_cell_formula_units_Z 2
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
Sn Sn0 1 0.00000000 0.00000000 0.91605800 1.0
Sn Sn1 1 0.50000000 0.50000000 0.08394200 1.0
W W2 1 0.75005300 0.75026600 0.25118900 1.0
W W3 1 0.74998500 0.74997200 0.58286400 1.0
W W4 1 0.75001500 0.75002800 0.41713600 1.0
W W5 1 0.74994700 0.74973400 0.74881100 1.0
W W6 1 0.75015100 0.74824900 0.91600800 1.0
W W7 1 0.74984900 0.75175100 0.08399200 1.0
W W8 1 0.00000000 0.50000000 0.25120100 1.0
W W9 1 0.00000000 0.50000000 0.41693600 1.0
W W10 1 0.00000000 0.50000000 0.74876200 1.0
W W11 1 0.00000000 0.50000000 0.58264900 1.0
W W12 1 0.00000000 0.50000000 0.91570300 1.0
W W13 1 0.00000000 0.50000000 0.08370200 1.0
W W14 1 0.24994700 0.75026600 0.25118900 1.0
W W15 1 0.25001500 0.74997200 0.58286400 1.0
W W16 1 0.24998500 0.75002800 0.41713600 1.0
W W17 1 0.24994700 0.24973400 0.25118900 1.0
W W18 1 0.24998500 0.24997200 0.41713600 1.0
W W19 1 0.25005300 0.25026600 0.74881100 1.0
W W20 1 0.25001500 0.25002800 0.58286400 1.0
W W21 1 0.25005300 0.74973400 0.74881100 1.0
W W22 1 0.24984900 0.74824900 0.91600800 1.0
W W23 1 0.25015100 0.24824900 0.08399200 1.0
W W24 1 0.25015100 0.75175100 0.08399200 1.0
W W25 1 0.24984900 0.25175100 0.91600800 1.0
W W26 1 0.50000000 0.00000000 0.25123800 1.0
W W27 1 0.50000000 0.00000000 0.41735100 1.0
W W28 1 0.50000000 0.00000000 0.58306400 1.0
W W29 1 0.50000000 0.00000000 0.74879900 1.0
W W30 1 0.50000000 0.00000000 0.91629800 1.0
W W31 1 0.50000000 0.00000000 0.08429700 1.0
W W32 1 0.75005300 0.24973400 0.25118900 1.0
W W33 1 0.75001500 0.24997200 0.41713600 1.0
W W34 1 0.74998500 0.25002800 0.58286400 1.0
W W35 1 0.74994700 0.25026600 0.74881100 1.0
W W36 1 0.75015100 0.25175100 0.91600800 1.0
W W37 1 0.74984900 0.24824900 0.08399200 1.0
O O38 1 0.24959200 0.75009200 0.33304300 1.0
O O39 1 0.25040800 0.74990800 0.66695700 1.0
O O40 1 0.25000000 0.75000000 0.50000000 1.0
O O41 1 0.25000000 0.75000000 0.00000000 1.0
O O42 1 0.24874100 0.75037300 0.83451500 1.0
O O43 1 0.25125900 0.74962700 0.16548500 1.0
O O44 1 0.32088500 0.89300000 0.24911800 1.0
O O45 1 0.32093100 0.89303500 0.41649000 1.0
O O46 1 0.32086400 0.89307800 0.58356100 1.0
O O47 1 0.32031900 0.89332100 0.75069600 1.0
O O48 1 0.30690900 0.89875200 0.91718900 1.0
O O49 1 0.31928100 0.89255100 0.08276000 1.0
O O50 1 0.50000000 0.71356000 0.24920900 1.0
O O51 1 0.50000000 0.00000000 0.99982900 1.0
O O52 1 0.50000000 0.71394700 0.58348300 1.0
O O53 1 0.50000000 0.00000000 0.16549500 1.0
O O54 1 0.50000000 0.71402400 0.41640100 1.0
O O55 1 0.50000000 0.71968900 0.91731000 1.0
O O56 1 0.50000000 0.71404800 0.75094800 1.0
O O57 1 0.50000000 0.69998700 0.08266300 1.0
O O58 1 0.67911500 0.89300000 0.24911800 1.0
O O59 1 0.67906900 0.89303500 0.41649000 1.0
O O60 1 0.67913600 0.89307800 0.58356100 1.0
O O61 1 0.67968100 0.89332100 0.75069600 1.0
O O62 1 0.69309100 0.89875200 0.91718900 1.0
O O63 1 0.68071900 0.89255100 0.08276000 1.0
O O64 1 0.75040800 0.75009200 0.33304300 1.0
O O65 1 0.74959200 0.74990800 0.66695700 1.0
O O66 1 0.75125900 0.75037300 0.83451500 1.0
O O67 1 0.75000000 0.75000000 0.50000000 1.0
O O68 1 0.75000000 0.75000000 0.00000000 1.0
O O69 1 0.75040800 0.24990800 0.33304300 1.0
O O70 1 0.75000000 0.25000000 0.50000000 1.0
O O71 1 0.74874100 0.74962700 0.16548500 1.0
O O72 1 0.74959200 0.25009200 0.66695700 1.0
O O73 1 0.75125900 0.24962700 0.83451500 1.0
O O74 1 0.75000000 0.25000000 0.00000000 1.0
O O75 1 0.74874100 0.25037300 0.16548500 1.0
O O76 1 0.82031900 0.39332100 0.24930400 1.0
O O77 1 0.82086400 0.39307800 0.41643900 1.0
O O78 1 0.82093100 0.39303500 0.58351000 1.0
O O79 1 0.82031900 0.60667900 0.24930400 1.0
O O80 1 0.81928100 0.39255100 0.91724000 1.0
O O81 1 0.82088500 0.39300000 0.75088200 1.0
O O82 1 0.82086400 0.60692200 0.41643900 1.0
O O83 1 0.81928100 0.60744900 0.91724000 1.0
O O84 1 0.82093100 0.60696500 0.58351000 1.0
O O85 1 0.82088500 0.60700000 0.75088200 1.0
O O86 1 0.80690900 0.39875200 0.08281100 1.0
O O87 1 0.80690900 0.60124800 0.08281100 1.0
O O88 1 0.00000000 0.78605300 0.41651700 1.0
O O89 1 0.00000000 0.78595200 0.24905200 1.0
O O90 1 0.00000000 0.78597600 0.58359900 1.0
O O91 1 0.00000000 0.50000000 0.49985800 1.0
O O92 1 0.00000000 0.78644000 0.75079100 1.0
O O93 1 0.00000000 0.50000000 0.33298900 1.0
O O94 1 0.00000000 0.50000000 0.83450500 1.0
O O95 1 0.00000000 0.80001300 0.91733700 1.0
O O96 1 0.00000000 0.78031100 0.08269000 1.0
O O97 1 0.00000000 0.50000000 0.66697800 1.0
O O98 1 0.00000000 0.50000000 0.00017100 1.0
O O99 1 0.00000000 0.50000000 0.16542200 1.0
O O100 1 0.00000000 0.21404800 0.24905200 1.0
O O101 1 0.00000000 0.21394700 0.41651700 1.0
O O102 1 0.00000000 0.21402400 0.58359900 1.0
O O103 1 0.00000000 0.21356000 0.75079100 1.0
O O104 1 0.00000000 0.19998700 0.91733700 1.0
O O105 1 0.00000000 0.21968900 0.08269000 1.0
O O106 1 0.17968100 0.39332100 0.24930400 1.0
O O107 1 0.17913600 0.39307800 0.41643900 1.0
O O108 1 0.17968100 0.60667900 0.24930400 1.0
O O109 1 0.17906900 0.39303500 0.58351000 1.0
O O110 1 0.17911500 0.39300000 0.75088200 1.0
O O111 1 0.18071900 0.39255100 0.91724000 1.0
O O112 1 0.17906900 0.60696500 0.58351000 1.0
O O113 1 0.18071900 0.60744900 0.91724000 1.0
O O114 1 0.17913600 0.60692200 0.41643900 1.0
O O115 1 0.19309100 0.39875200 0.08281100 1.0
O O116 1 0.17911500 0.60700000 0.75088200 1.0
O O117 1 0.19309100 0.60124800 0.08281100 1.0
O O118 1 0.24959200 0.24990800 0.33304300 1.0
O O119 1 0.25000000 0.25000000 0.50000000 1.0
O O120 1 0.24874100 0.24962700 0.83451500 1.0
O O121 1 0.25040800 0.25009200 0.66695700 1.0
O O122 1 0.25125900 0.25037300 0.16548500 1.0
O O123 1 0.25000000 0.25000000 0.00000000 1.0
O O124 1 0.32088500 0.10700000 0.24911800 1.0
O O125 1 0.32093100 0.10696500 0.41649000 1.0
O O126 1 0.32086400 0.10692200 0.58356100 1.0
O O127 1 0.32031900 0.10667900 0.75069600 1.0
O O128 1 0.30690900 0.10124800 0.91718900 1.0
O O129 1 0.31928100 0.10744900 0.08276000 1.0
O O130 1 0.50000000 0.28644000 0.24920900 1.0
O O131 1 0.50000000 0.28597600 0.41640100 1.0
O O132 1 0.50000000 0.28605300 0.58348300 1.0
O O133 1 0.50000000 0.28595200 0.75094800 1.0
O O134 1 0.50000000 0.00000000 0.33302200 1.0
O O135 1 0.50000000 0.28031100 0.91731000 1.0
O O136 1 0.50000000 0.00000000 0.50014200 1.0
O O137 1 0.50000000 0.00000000 0.66701100 1.0
O O138 1 0.50000000 0.30001300 0.08266300 1.0
O O139 1 0.50000000 0.00000000 0.83457800 1.0
O O140 1 0.67911500 0.10700000 0.24911800 1.0
O O141 1 0.67906900 0.10696500 0.41649000 1.0
O O142 1 0.67913600 0.10692200 0.58356100 1.0
O O143 1 0.67968100 0.10667900 0.75069600 1.0
O O144 1 0.69309100 0.10124800 0.91718900 1.0
O O145 1 0.68071900 0.10744900 0.08276000 1.0