Zn(W18O49)2
传统材料 TRAMP-ID: mp-1217459 · 空间群: Cm (#8)
基础信息
化学式
Zn(W18O49)2
MP-ID
mp-1217459
元素数
3
位点数
135
密度
7.2070
g/cm³
体积
1,901.22
ų
晶胞参数 a
14.7616
Å
晶胞参数 b
14.7616
Å
晶胞参数 c
19.0099
Å
α 角
66.13
°
β 角
66.13
°
γ 角
30.37
°
空间群
Cm
点群
m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-2.12943
eV/atom
能量/原子
-9.18611
eV/atom
凸包距离
0.0178
eV/atom
未修正能量
-7.5039
eV/atom
体积/原子
14.08
ų
c/a 比
1.2878
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
Yes
总磁矩
19.9957
μB
磁有序
FM
磁性位点数
36
磁化强度/体积
0.010520
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 · 0.726
元素家族
N/A
溶质分数
0.274
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.698
家族
O-rich Multi-Component
基质元素
O · 0.726
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-1217459
参考引用
The crystal structure and related material properties of Zn(W18O49)2 were obtained from the Materials Project database (MP-ID: mp-1217459, 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_Zn(W18O49)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.76156280
_cell_length_b 14.76156280
_cell_length_c 19.00988979
_cell_angle_alpha 66.12809959
_cell_angle_beta 66.12809959
_cell_angle_gamma 30.36923970
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn(W18O49)2
_chemical_formula_sum 'Zn1 W36 O98'
_cell_volume 1901.21725879
_cell_formula_units_Z 1
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
Zn Zn0 1 0.19132000 0.19132000 0.59698300 1.0
W W1 1 0.32032300 0.82051700 0.35726200 1.0
W W2 1 0.82051700 0.32032300 0.35726200 1.0
W W3 1 0.17954000 0.67954500 0.64294800 1.0
W W4 1 0.67954500 0.17954000 0.64294800 1.0
W W5 1 0.46577000 0.96575500 0.22066200 1.0
W W6 1 0.96575500 0.46577000 0.22066200 1.0
W W7 1 0.03406000 0.53425600 0.78062000 1.0
W W8 1 0.53425600 0.03406000 0.78062000 1.0
W W9 1 0.61110800 0.11113500 0.08377300 1.0
W W10 1 0.11113500 0.61110800 0.08377300 1.0
W W11 1 0.88880600 0.38847100 0.91757400 1.0
W W12 1 0.38847100 0.88880600 0.91757400 1.0
W W13 1 0.12351900 0.62351800 0.27697800 1.0
W W14 1 0.62351800 0.12351900 0.27697800 1.0
W W15 1 0.37799200 0.87057900 0.72632700 1.0
W W16 1 0.87057900 0.37799200 0.72632700 1.0
W W17 1 0.24620600 0.74619900 0.25830200 1.0
W W18 1 0.74619900 0.24620600 0.25830200 1.0
W W19 1 0.25372600 0.75363500 0.74109900 1.0
W W20 1 0.75363500 0.25372600 0.74109900 1.0
W W21 1 0.16910000 0.66926800 0.44868000 1.0
W W22 1 0.66926800 0.16910000 0.44868000 1.0
W W23 1 0.33239900 0.83086600 0.55050900 1.0
W W24 1 0.83086600 0.33239900 0.55050900 1.0
W W25 1 0.48005200 0.97893200 0.41477200 1.0
W W26 1 0.97893200 0.48005200 0.41477200 1.0
W W27 1 0.01784000 0.52763100 0.58493700 1.0
W W28 1 0.52763100 0.01784000 0.58493700 1.0
W W29 1 0.37156500 0.87150800 0.12767500 1.0
W W30 1 0.87150800 0.37156500 0.12767500 1.0
W W31 1 0.12849600 0.62847500 0.87306600 1.0
W W32 1 0.62847500 0.12849600 0.87306600 1.0
W W33 1 0.24921900 0.74919800 0.08256800 1.0
W W34 1 0.74919800 0.24921900 0.08256800 1.0
W W35 1 0.25019100 0.75035200 0.91820100 1.0
W W36 1 0.75035200 0.25019100 0.91820100 1.0
O O37 1 0.29623300 0.79625600 0.13839700 1.0
O O38 1 0.79625600 0.29623300 0.13839700 1.0
O O39 1 0.20362700 0.70417600 0.86126000 1.0
O O40 1 0.70417600 0.20362700 0.86126000 1.0
O O41 1 0.53174200 0.03183000 0.14358400 1.0
O O42 1 0.03183000 0.53174200 0.14358400 1.0
O O43 1 0.96787900 0.46778600 0.85713200 1.0
O O44 1 0.46778600 0.96787900 0.85713200 1.0
O O45 1 0.55799500 0.05761800 0.35373600 1.0
O O46 1 0.05761800 0.55799500 0.35373600 1.0
O O47 1 0.95465500 0.42788600 0.63918700 1.0
O O48 1 0.42788600 0.95465500 0.63918700 1.0
O O49 1 0.49850100 0.49850100 0.08231800 1.0
O O50 1 0.99846900 0.99846900 0.08232100 1.0
O O51 1 0.50103700 0.50103700 0.91838500 1.0
O O52 1 0.00075100 0.00075100 0.91899200 1.0
O O53 1 0.31190800 0.81463000 0.45803100 1.0
O O54 1 0.81463000 0.31190800 0.45803100 1.0
O O55 1 0.18731000 0.68729100 0.54152400 1.0
O O56 1 0.68729100 0.18731000 0.54152400 1.0
O O57 1 0.61065900 0.11070800 0.18974100 1.0
O O58 1 0.11070800 0.61065900 0.18974100 1.0
O O59 1 0.89268100 0.38560400 0.81098000 1.0
O O60 1 0.38560400 0.89268100 0.81098000 1.0
O O61 1 0.61897800 0.61897800 0.13092900 1.0
O O62 1 0.11901800 0.11901800 0.13086700 1.0
O O63 1 0.38216600 0.38216600 0.86897600 1.0
O O64 1 0.88210400 0.88210400 0.86894600 1.0
O O65 1 0.49544600 0.49544600 0.25740600 1.0
O O66 1 0.99545600 0.99545600 0.25738400 1.0
O O67 1 0.50412300 0.50412300 0.74206900 1.0
O O68 1 0.00454400 0.00454400 0.74112400 1.0
O O69 1 0.32132000 0.82115200 0.24377400 1.0
O O70 1 0.82115200 0.32132000 0.24377400 1.0
O O71 1 0.17908200 0.67914600 0.75518200 1.0
O O72 1 0.67914600 0.17908200 0.75518200 1.0
O O73 1 0.16708200 0.66710700 0.33998500 1.0
O O74 1 0.66710700 0.16708200 0.33998500 1.0
O O75 1 0.33660200 0.82702200 0.66181900 1.0
O O76 1 0.82702200 0.33660200 0.66181900 1.0
O O77 1 0.39431000 0.89371600 0.02130600 1.0
O O78 1 0.89371600 0.39431000 0.02130600 1.0
O O79 1 0.10586200 0.60587200 0.97922600 1.0
O O80 1 0.60587200 0.10586200 0.97922600 1.0
O O81 1 0.43035400 0.93010300 0.14887200 1.0
O O82 1 0.93010300 0.43035400 0.14887200 1.0
O O83 1 0.07032700 0.56979400 0.85237300 1.0
O O84 1 0.56979400 0.07032700 0.85237300 1.0
O O85 1 0.37710900 0.37710900 0.27766100 1.0
O O86 1 0.87715700 0.87715700 0.27761600 1.0
O O87 1 0.62565800 0.62565800 0.72187000 1.0
O O88 1 0.12417000 0.12417000 0.71523000 1.0
O O89 1 0.47989100 0.97902300 0.31202500 1.0
O O90 1 0.97902300 0.47989100 0.31202500 1.0
O O91 1 0.01783300 0.52319400 0.68625500 1.0
O O92 1 0.52319400 0.01783300 0.68625500 1.0
O O93 1 0.86267600 0.86267600 0.08119800 1.0
O O94 1 0.36264800 0.36264800 0.08121200 1.0
O O95 1 0.13700300 0.13700300 0.91944300 1.0
O O96 1 0.63701100 0.63701100 0.91853000 1.0
O O97 1 0.24582300 0.74570100 0.36695900 1.0
O O98 1 0.74570100 0.24582300 0.36695900 1.0
O O99 1 0.25468700 0.75537600 0.63035200 1.0
O O100 1 0.75537600 0.25468700 0.63035200 1.0
O O101 1 0.71175600 0.71175600 0.22306100 1.0
O O102 1 0.21172200 0.21172200 0.22308000 1.0
O O103 1 0.28822400 0.28822400 0.77667500 1.0
O O104 1 0.78836600 0.78836600 0.77732600 1.0
O O105 1 0.39058400 0.89045000 0.30401500 1.0
O O106 1 0.89045000 0.39058400 0.30401500 1.0
O O107 1 0.10966100 0.60944300 0.69597000 1.0
O O108 1 0.60944300 0.10966100 0.69597000 1.0
O O109 1 0.49369800 0.00761100 0.49926900 1.0
O O110 1 0.00761100 0.49369800 0.49926900 1.0
O O111 1 0.08958800 0.59476100 0.52375100 1.0
O O112 1 0.59476100 0.08958800 0.52375100 1.0
O O113 1 0.40788100 0.90903900 0.47850000 1.0
O O114 1 0.90903900 0.40788100 0.47850000 1.0
O O115 1 0.69680300 0.19737500 0.03185100 1.0
O O116 1 0.19737500 0.69680300 0.03185100 1.0
O O117 1 0.80255600 0.30253900 0.96888800 1.0
O O118 1 0.30253900 0.80255600 0.96888800 1.0
O O119 1 0.56515900 0.56515900 0.35687800 1.0
O O120 1 0.06519400 0.06519400 0.35636500 1.0
O O121 1 0.43477100 0.43477100 0.64343900 1.0
O O122 1 0.93466600 0.93466600 0.64348700 1.0
O O123 1 0.20155700 0.70149800 0.19839000 1.0
O O124 1 0.70149800 0.20155700 0.19839000 1.0
O O125 1 0.29740800 0.79844500 0.80296100 1.0
O O126 1 0.79844500 0.29740800 0.80296100 1.0
O O127 1 0.73109200 0.73109200 0.41346700 1.0
O O128 1 0.23006300 0.23006300 0.41354100 1.0
O O129 1 0.26806900 0.26806900 0.58667000 1.0
O O130 1 0.76692600 0.76692600 0.58693600 1.0
O O131 1 0.41862900 0.41862900 0.44863500 1.0
O O132 1 0.91891700 0.91891700 0.44839900 1.0
O O133 1 0.58179400 0.58179400 0.55103000 1.0
O O134 1 0.08330800 0.08330800 0.55305400 1.0