W5O14
传统材料 TRAMP-ID: mp-705284 · 空间群: P-42_1m (#113)
基础信息
化学式
W5O14
MP-ID
mp-705284
元素数
2
位点数
152
密度
5.2747
g/cm³
体积
2,879.10
ų
晶胞参数 a
27.8731
Å
晶胞参数 b
27.8731
Å
晶胞参数 c
3.7059
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-42_1m
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-1.39547
eV/atom
能量/原子
-8.45137
eV/atom
凸包距离
0.7711
eV/atom
未修正能量
-6.9408
eV/atom
体积/原子
18.94
ų
c/a 比
0.1330
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
15.9868
μB
磁有序
FM
磁性位点数
16
磁化强度/体积
0.005550
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 · 0.737
元素家族
N/A
溶质分数
0.263
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.521
家族
Binary Alloy
基质元素
O · 0.737
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-705284
参考引用
The crystal structure and related material properties of W5O14 were obtained from the Materials Project database (MP-ID: mp-705284, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_W5O14
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 27.87306600
_cell_length_b 27.87306600
_cell_length_c 3.70585100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural W5O14
_chemical_formula_sum 'W40 O112'
_cell_volume 2879.10457808
_cell_formula_units_Z 8
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
W W0 1 0.17420500 0.23315300 0.90813400 1.0
W W1 1 0.26684700 0.32579500 0.90813400 1.0
W W2 1 0.57802200 0.39701300 0.05681600 1.0
W W3 1 0.56678900 0.78838300 0.78875100 1.0
W W4 1 0.06678900 0.71161700 0.21124900 1.0
W W5 1 0.07802200 0.10298700 0.94318400 1.0
W W6 1 0.73315300 0.67420500 0.90813400 1.0
W W7 1 0.10298700 0.92197800 0.05681600 1.0
W W8 1 0.63545600 0.86454400 0.54807800 1.0
W W9 1 0.89701300 0.07802200 0.05681600 1.0
W W10 1 0.13545600 0.63545600 0.45192200 1.0
W W11 1 0.36308800 0.95845000 0.73800600 1.0
W W12 1 0.60298700 0.57802200 0.94318400 1.0
W W13 1 0.54155000 0.13691200 0.73800600 1.0
W W14 1 0.71161700 0.93321100 0.78875100 1.0
W W15 1 0.76684700 0.17420500 0.09186600 1.0
W W16 1 0.93321100 0.28838300 0.21124900 1.0
W W17 1 0.21161700 0.56678900 0.21124900 1.0
W W18 1 0.13691200 0.45845000 0.26199400 1.0
W W19 1 0.92197800 0.89701300 0.94318400 1.0
W W20 1 0.45845000 0.86308800 0.73800600 1.0
W W21 1 0.28838300 0.06678900 0.78875100 1.0
W W22 1 0.23315300 0.82579500 0.09186600 1.0
W W23 1 0.70417400 0.79582600 0.81803300 1.0
W W24 1 0.29582600 0.20417400 0.81803300 1.0
W W25 1 0.78838300 0.43321100 0.21124900 1.0
W W26 1 0.32579500 0.73315300 0.09186600 1.0
W W27 1 0.79582600 0.29582600 0.18196700 1.0
W W28 1 0.82579500 0.76684700 0.90813400 1.0
W W29 1 0.39701300 0.42197800 0.94318400 1.0
W W30 1 0.43321100 0.21161700 0.78875100 1.0
W W31 1 0.63691200 0.04155000 0.73800600 1.0
W W32 1 0.42197800 0.60298700 0.05681600 1.0
W W33 1 0.04155000 0.36308800 0.26199400 1.0
W W34 1 0.67420500 0.26684700 0.09186600 1.0
W W35 1 0.95845000 0.63691200 0.26199400 1.0
W W36 1 0.86308800 0.54155000 0.26199400 1.0
W W37 1 0.20417400 0.70417400 0.18196700 1.0
W W38 1 0.86454400 0.36454400 0.45192200 1.0
W W39 1 0.36454400 0.13545600 0.54807800 1.0
O O40 1 0.58615800 0.72955000 0.78400800 1.0
O O41 1 0.90811000 0.49926500 0.26690700 1.0
O O42 1 0.09189000 0.50073500 0.26690700 1.0
O O43 1 0.62821900 0.57613200 0.44594200 1.0
O O44 1 0.88697300 0.38697300 0.02393100 1.0
O O45 1 0.63828800 0.25489800 0.56304700 1.0
O O46 1 0.75489800 0.13828800 0.56304700 1.0
O O47 1 0.06355500 0.87330300 0.06029700 1.0
O O48 1 0.63986000 0.31777200 0.97965900 1.0
O O49 1 0.89936300 0.60063700 0.25880100 1.0
O O50 1 0.43644500 0.37330300 0.93970300 1.0
O O51 1 0.62669700 0.43644500 0.06029700 1.0
O O52 1 0.31610100 0.18389900 0.29555500 1.0
O O53 1 0.85950100 0.71211100 0.68791600 1.0
O O54 1 0.65191900 0.05197900 0.23981100 1.0
O O55 1 0.91384200 0.22955000 0.21599200 1.0
O O56 1 0.72513600 0.29782100 0.33061500 1.0
O O57 1 0.50073500 0.90811000 0.73309300 1.0
O O58 1 0.97168500 0.93393400 0.93486600 1.0
O O59 1 0.20217900 0.77486400 0.33061500 1.0
O O60 1 0.13828800 0.24510200 0.43695300 1.0
O O61 1 0.49926500 0.09189000 0.73309300 1.0
O O62 1 0.18222800 0.86014000 0.97965900 1.0
O O63 1 0.93393400 0.02831500 0.06513400 1.0
O O64 1 0.64049900 0.21211100 0.31208400 1.0
O O65 1 0.28788900 0.85950100 0.31208400 1.0
O O66 1 0.27045000 0.58615800 0.21599200 1.0
O O67 1 0.56355500 0.62669700 0.93970300 1.0
O O68 1 0.00089400 0.69513000 0.24869200 1.0
O O69 1 0.31777200 0.36014000 0.02034100 1.0
O O70 1 0.36014000 0.68222800 0.97965900 1.0
O O71 1 0.52831500 0.43393400 0.06513400 1.0
O O72 1 0.70217900 0.72513600 0.66938500 1.0
O O73 1 0.77045000 0.91384200 0.78400800 1.0
O O74 1 0.59189000 0.99926500 0.73309300 1.0
O O75 1 0.30728700 0.07808000 0.28116400 1.0
O O76 1 0.07613200 0.12821900 0.44594200 1.0
O O77 1 0.37178100 0.42386800 0.44594200 1.0
O O78 1 0.41384200 0.27045000 0.78400800 1.0
O O79 1 0.22440100 0.27559900 0.13154700 1.0
O O80 1 0.77559900 0.72440100 0.13154700 1.0
O O81 1 0.14049900 0.28788900 0.68791600 1.0
O O82 1 0.06606600 0.97168500 0.06513400 1.0
O O83 1 0.12821900 0.92386800 0.55405800 1.0
O O84 1 0.50089400 0.80487000 0.75130800 1.0
O O85 1 0.86171200 0.75489800 0.43695300 1.0
O O86 1 0.93644500 0.12669700 0.06029700 1.0
O O87 1 0.87178100 0.07613200 0.55405800 1.0
O O88 1 0.24510200 0.86171200 0.56304700 1.0
O O89 1 0.07808000 0.69271300 0.71883600 1.0
O O90 1 0.68222800 0.63986000 0.02034100 1.0
O O91 1 0.79782100 0.22513600 0.33061500 1.0
O O92 1 0.22513600 0.20217900 0.66938500 1.0
O O93 1 0.08615800 0.77045000 0.21599200 1.0
O O94 1 0.92386800 0.87178100 0.44594200 1.0
O O95 1 0.61302700 0.88697300 0.97606900 1.0
O O96 1 0.02831500 0.06606600 0.93486600 1.0
O O97 1 0.13986000 0.18222800 0.02034100 1.0
O O98 1 0.55197900 0.15191900 0.23981100 1.0
O O99 1 0.47168500 0.56606600 0.06513400 1.0
O O100 1 0.78788900 0.64049900 0.68791600 1.0
O O101 1 0.11302700 0.61302700 0.02393100 1.0
O O102 1 0.39936300 0.89936300 0.74119900 1.0
O O103 1 0.69271300 0.92192000 0.28116400 1.0
O O104 1 0.21211100 0.35950100 0.68791600 1.0
O O105 1 0.87330300 0.93644500 0.93970300 1.0
O O106 1 0.25489800 0.36171200 0.43695300 1.0
O O107 1 0.99910600 0.30487000 0.24869200 1.0
O O108 1 0.81610100 0.31610100 0.70444500 1.0
O O109 1 0.15191900 0.44802100 0.76018900 1.0
O O110 1 0.86014000 0.81777200 0.02034100 1.0
O O111 1 0.44802100 0.84808100 0.23981100 1.0
O O112 1 0.81777200 0.13986000 0.97965900 1.0
O O113 1 0.35950100 0.78788900 0.31208400 1.0
O O114 1 0.18389900 0.68389900 0.70444500 1.0
O O115 1 0.34808100 0.94802100 0.23981100 1.0
O O116 1 0.12669700 0.06355500 0.93970300 1.0
O O117 1 0.29782100 0.27486400 0.66938500 1.0
O O118 1 0.60063700 0.10063700 0.74119900 1.0
O O119 1 0.69513000 0.99910600 0.75130800 1.0
O O120 1 0.80728700 0.42192000 0.71883600 1.0
O O121 1 0.10063700 0.39936300 0.25880100 1.0
O O122 1 0.57808000 0.80728700 0.28116400 1.0
O O123 1 0.74510200 0.63828800 0.43695300 1.0
O O124 1 0.49910600 0.19513000 0.75130800 1.0
O O125 1 0.38697300 0.11302700 0.97606900 1.0
O O126 1 0.05197900 0.34808100 0.76018900 1.0
O O127 1 0.40811000 0.00073500 0.73309300 1.0
O O128 1 0.77486400 0.79782100 0.66938500 1.0
O O129 1 0.72955000 0.41384200 0.21599200 1.0
O O130 1 0.94802100 0.65191900 0.76018900 1.0
O O131 1 0.27486400 0.70217900 0.33061500 1.0
O O132 1 0.42386800 0.62821900 0.55405800 1.0
O O133 1 0.99926500 0.40811000 0.26690700 1.0
O O134 1 0.30487000 0.00089400 0.75130800 1.0
O O135 1 0.71211100 0.14049900 0.31208400 1.0
O O136 1 0.68389900 0.81610100 0.29555500 1.0
O O137 1 0.27559900 0.77559900 0.86845300 1.0
O O138 1 0.36171200 0.74510200 0.56304700 1.0
O O139 1 0.19271300 0.57808000 0.71883600 1.0
O O140 1 0.43393400 0.47168500 0.93486600 1.0
O O141 1 0.84808100 0.55197900 0.76018900 1.0
O O142 1 0.57613200 0.37178100 0.55405800 1.0
O O143 1 0.00073500 0.59189000 0.26690700 1.0
O O144 1 0.37330300 0.56355500 0.06029700 1.0
O O145 1 0.92192000 0.30728700 0.71883600 1.0
O O146 1 0.72440100 0.22440100 0.86845300 1.0
O O147 1 0.80487000 0.49910600 0.24869200 1.0
O O148 1 0.42192000 0.19271300 0.28116400 1.0
O O149 1 0.19513000 0.50089400 0.24869200 1.0
O O150 1 0.22955000 0.08615800 0.78400800 1.0
O O151 1 0.56606600 0.52831500 0.93486600 1.0