W25O73
传统材料 TRAMP-ID: mp-649605 · 空间群: P2/c (#13)
基础信息
化学式
W25O73
MP-ID
mp-649605
元素数
2
位点数
196
密度
6.7419
g/cm³
体积
2,839.33
ų
晶胞参数 a
3.8609
Å
晶胞参数 b
12.2586
Å
晶胞参数 c
60.1193
Å
α 角
93.74
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-2.16929
eV/atom
能量/原子
-9.16066
eV/atom
凸包距离
0.0121
eV/atom
未修正能量
-7.5168
eV/atom
体积/原子
14.49
ų
c/a 比
15.5713
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
1.3442
μB
磁有序
FiM
磁性位点数
23
磁化强度/体积
0.000470
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 · 0.745
元素家族
N/A
溶质分数
0.255
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.713
家族
Binary Alloy
基质元素
O · 0.745
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-649605
参考引用
The crystal structure and related material properties of W25O73 were obtained from the Materials Project database (MP-ID: mp-649605, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_W25O73
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86089624
_cell_length_b 12.25859102
_cell_length_c 60.11928129
_cell_angle_alpha 93.74101350
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural W25O73
_chemical_formula_sum 'W50 O146'
_cell_volume 2839.33130588
_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
W W0 1 0.51748196 0.21142393 0.14987105 1.0
W W1 1 0.51570617 0.08276747 0.83091086 1.0
W W2 1 0.49746786 0.87650118 0.56769881 1.0
W W3 1 0.49020216 0.41208146 0.41102668 1.0
W W4 1 0.50979784 0.58791854 0.58897332 1.0
W W5 1 0.48438152 0.23474805 0.49504364 1.0
W W6 1 0.48361773 0.12583563 0.68971265 1.0
W W7 1 0.49020216 0.08791854 0.08897332 1.0
W W8 1 0.51706723 0.04079282 0.22940746 1.0
W W9 1 0.48429383 0.91723253 0.16908914 1.0
W W10 1 0.51320749 0.79427880 0.10819088 1.0
W W11 1 0.48426108 0.75000000 0.25000000 1.0
W W12 1 0.51573892 0.25000000 0.75000000 1.0
W W13 1 0.51428904 0.49719676 0.87109372 1.0
W W14 1 0.48361773 0.37416437 0.81028735 1.0
W W15 1 0.48429383 0.58276747 0.33091086 1.0
W W16 1 0.50253214 0.37650118 0.06769881 1.0
W W17 1 0.50253214 0.12349882 0.43230119 1.0
W W18 1 0.51706723 0.45920718 0.27059254 1.0
W W19 1 0.48215558 0.33512161 0.21043772 1.0
W W20 1 0.48571096 0.99719676 0.37109372 1.0
W W21 1 0.49746786 0.62349882 0.93230119 1.0
W W22 1 0.48293277 0.54079282 0.72940746 1.0
W W23 1 0.48293277 0.95920718 0.77059254 1.0
W W24 1 0.49633870 0.52953044 0.47299904 1.0
W W25 1 0.48251804 0.71142393 0.64987105 1.0
W W26 1 0.50366130 0.47046956 0.52700096 1.0
W W27 1 0.51428904 0.00280324 0.62890628 1.0
W W28 1 0.49633870 0.97046956 0.02700096 1.0
W W29 1 0.48679251 0.29427880 0.60819088 1.0
W W30 1 0.50366130 0.02953044 0.97299904 1.0
W W31 1 0.48571096 0.50280324 0.12890628 1.0
W W32 1 0.51075576 0.16710770 0.54692734 1.0
W W33 1 0.51784442 0.66487839 0.78956228 1.0
W W34 1 0.48924424 0.66710770 0.04692734 1.0
W W35 1 0.51075576 0.33289230 0.95307266 1.0
W W36 1 0.48438152 0.26525195 0.00495636 1.0
W W37 1 0.51561848 0.73474805 0.99504364 1.0
W W38 1 0.51638227 0.62583563 0.18971265 1.0
W W39 1 0.48251804 0.78857607 0.85012895 1.0
W W40 1 0.48215558 0.16487839 0.28956228 1.0
W W41 1 0.51784442 0.83512161 0.71043772 1.0
W W42 1 0.51638227 0.87416437 0.31028735 1.0
W W43 1 0.50979784 0.91208146 0.91102668 1.0
W W44 1 0.51320749 0.70572120 0.39180912 1.0
W W45 1 0.51561848 0.76525195 0.50495636 1.0
W W46 1 0.51570617 0.41723253 0.66908914 1.0
W W47 1 0.48679251 0.20572120 0.89180912 1.0
W W48 1 0.48924424 0.83289230 0.45307266 1.0
W W49 1 0.51748196 0.28857607 0.35012895 1.0
O O50 1 0.00493878 0.87388941 0.31134924 1.0
O O51 1 0.50060878 0.44000667 0.59683342 1.0
O O52 1 0.50056273 0.27258312 0.67871992 1.0
O O53 1 0.50046319 0.47962858 0.19869200 1.0
O O54 1 0.50122989 0.43388890 0.84219460 1.0
O O55 1 0.99472980 0.41447879 0.41302058 1.0
O O56 1 0.49989951 0.22974565 0.07558857 1.0
O O57 1 0.50420826 0.88290969 0.48712028 1.0
O O58 1 0.00590394 0.04155630 0.22923524 1.0
O O59 1 0.50127640 0.27122332 0.17901394 1.0
O O60 1 0.00408828 0.17050182 0.54506104 1.0
O O61 1 0.49872360 0.77122332 0.67901394 1.0
O O62 1 0.00014225 0.12389976 0.43455657 1.0
O O63 1 0.49943727 0.72741688 0.32128008 1.0
O O64 1 0.00493878 0.62611059 0.18865076 1.0
O O65 1 0.49877011 0.56611110 0.15780540 1.0
O O66 1 0.50083431 0.68620855 0.21943990 1.0
O O67 1 0.49874568 0.35374897 0.63738763 1.0
O O68 1 0.49697841 0.31963777 0.03409619 1.0
O O69 1 0.49579174 0.38290969 0.98712028 1.0
O O70 1 0.49963484 0.35686776 0.13801827 1.0
O O71 1 0.00622806 0.74523093 0.99532505 1.0
O O72 1 0.49821840 0.73911981 0.07481051 1.0
O O73 1 0.50011206 0.18910290 0.21981167 1.0
O O74 1 0.99495056 0.33498949 0.20954508 1.0
O O75 1 0.49995228 0.10116761 0.26006666 1.0
O O76 1 0.50056273 0.22741688 0.82128008 1.0
O O77 1 0.49972175 0.35387864 0.88389622 1.0
O O78 1 0.50420826 0.61709031 0.01287972 1.0
O O79 1 0.50027825 0.85387864 0.38389622 1.0
O O80 1 0.49586864 0.09970401 0.00720661 1.0
O O81 1 0.00527020 0.91447879 0.91302058 1.0
O O82 1 0.49916569 0.31379145 0.78056010 1.0
O O83 1 0.99512603 0.91765483 0.16788783 1.0
O O84 1 0.00504944 0.66501051 0.79045492 1.0
O O85 1 0.50083431 0.81379145 0.28056010 1.0
O O86 1 0.51120686 0.97381097 0.94427683 1.0
O O87 1 0.49953681 0.52037142 0.80130800 1.0
O O88 1 0.50004772 0.89883239 0.73993334 1.0
O O89 1 0.50536813 0.19140795 0.97079090 1.0
O O90 1 0.48879314 0.47381097 0.44427683 1.0
O O91 1 0.49953681 0.97962858 0.69869200 1.0
O O92 1 0.50273529 0.84925805 0.88244672 1.0
O O93 1 0.00408828 0.32949818 0.95493896 1.0
O O94 1 0.99377194 0.24523093 0.49532505 1.0
O O95 1 0.00370321 0.49834937 0.87279607 1.0
O O96 1 0.49821840 0.76088019 0.42518949 1.0
O O97 1 0.50010049 0.72974565 0.57558857 1.0
O O98 1 0.50178160 0.26088019 0.92518949 1.0
O O99 1 0.99641682 0.20781586 0.89363075 1.0
O O100 1 0.51120686 0.52618903 0.55572317 1.0
O O101 1 0.99563864 0.78893136 0.85173207 1.0
O O102 1 0.00014225 0.37610024 0.06544343 1.0
O O103 1 0.00622806 0.75476907 0.50467495 1.0
O O104 1 0.00504944 0.83498949 0.70954508 1.0
O O105 1 0.50011206 0.31089710 0.28018833 1.0
O O106 1 0.99629679 0.99834937 0.37279607 1.0
O O107 1 0.00358318 0.70781586 0.39363075 1.0
O O108 1 0.50189496 0.02395235 0.55490408 1.0
O O109 1 0.49923006 0.39496493 0.73924971 1.0
O O110 1 0.00487397 0.41765483 0.66788783 1.0
O O111 1 0.50027825 0.64612136 0.11610378 1.0
O O112 1 0.50125432 0.64625103 0.36261237 1.0
O O113 1 0.49943727 0.77258312 0.17871992 1.0
O O114 1 0.50092146 0.06188531 0.40359287 1.0
O O115 1 0.00527020 0.58552121 0.58697942 1.0
O O116 1 0.49939122 0.94000667 0.09683342 1.0
O O117 1 0.49810504 0.52395235 0.05490408 1.0
O O118 1 0.50189496 0.47604765 0.94509592 1.0
O O119 1 0.99409606 0.54155630 0.72923524 1.0
O O120 1 0.49907854 0.93811469 0.59640713 1.0
O O121 1 0.99578657 0.96909832 0.02539326 1.0
O O122 1 0.99377194 0.25476907 0.00467495 1.0
O O123 1 0.99591172 0.67050182 0.04506104 1.0
O O124 1 0.00483439 0.25000000 0.75000000 1.0
O O125 1 0.50004772 0.60116761 0.76006666 1.0
O O126 1 0.50046319 0.02037142 0.30130800 1.0
O O127 1 0.49923006 0.10503507 0.76075029 1.0
O O128 1 0.50413136 0.90029599 0.99279339 1.0
O O129 1 0.50536813 0.30859205 0.52920910 1.0
O O130 1 0.00421343 0.46909832 0.52539326 1.0
O O131 1 0.49877011 0.93388890 0.34219460 1.0
O O132 1 -0.00014225 0.87610024 0.56544343 1.0
O O133 1 0.49945467 0.56380622 0.65779493 1.0
O O134 1 0.00358318 0.79218414 0.10636925 1.0
O O135 1 0.49697841 0.18036223 0.46590381 1.0
O O136 1 0.50054533 0.43619378 0.34220507 1.0
O O137 1 0.49988794 0.68910290 0.71981167 1.0
O O138 1 0.50053613 0.48113949 0.69850531 1.0
O O139 1 0.50076994 0.60503507 0.26075029 1.0
O O140 1 0.49874568 0.14625103 0.86261237 1.0
O O141 1 0.00370321 0.00165063 0.62720393 1.0
O O142 1 0.50122989 0.06611110 0.65780540 1.0
O O143 1 0.49726471 0.15074195 0.11755328 1.0
O O144 1 0.99495056 0.16501051 0.29045492 1.0
O O145 1 0.99641682 0.29218414 0.60636925 1.0
O O146 1 0.50125432 0.85374897 0.13738763 1.0
O O147 1 0.99506122 0.12611059 0.68865076 1.0
O O148 1 0.00487397 0.08234517 0.83211217 1.0
O O149 1 0.49872360 0.72877668 0.82098606 1.0
O O150 1 0.00590394 0.45844370 0.27076476 1.0
O O151 1 0.49907854 0.56188531 0.90359287 1.0
O O152 1 0.00421343 0.03090168 0.97460674 1.0
O O153 1 0.50302159 0.81963777 0.53409619 1.0
O O154 1 0.49972175 0.14612136 0.61610378 1.0
O O155 1 0.50054533 0.06380622 0.15779493 1.0
O O156 1 0.99591172 0.82949818 0.45493896 1.0
O O157 1 0.50053613 0.01886051 0.80149469 1.0
O O158 1 0.49586864 0.40029599 0.49279339 1.0
O O159 1 0.49579174 0.11709031 0.51287972 1.0
O O160 1 0.49989951 0.27025435 0.42441143 1.0
O O161 1 0.50302159 0.68036223 0.96590381 1.0
O O162 1 0.50273529 0.65074195 0.61755328 1.0
O O163 1 0.49810504 0.97604765 0.44509592 1.0
O O164 1 0.00436136 0.28893136 0.35173207 1.0
O O165 1 0.49726471 0.34925805 0.38244672 1.0
O O166 1 0.49988794 0.81089710 0.78018833 1.0
O O167 1 0.50010049 0.77025435 0.92441143 1.0
O O168 1 0.49939122 0.55999333 0.40316658 1.0
O O169 1 0.99409606 0.95844370 0.77076476 1.0
O O170 1 0.50036516 0.64313224 0.86198173 1.0
O O171 1 0.49463187 0.80859205 0.02920910 1.0
O O172 1 0.99563864 0.71106864 0.64826793 1.0
O O173 1 0.49463187 0.69140795 0.47079090 1.0
O O174 1 0.49916569 0.18620855 0.71943990 1.0
O O175 1 0.99472980 0.08552121 0.08697942 1.0
O O176 1 0.99578657 0.53090168 0.47460674 1.0
O O177 1 0.50127640 0.22877668 0.32098606 1.0
O O178 1 0.99629679 0.50165063 0.12720393 1.0
O O179 1 0.49946387 0.51886051 0.30149469 1.0
O O180 1 0.48879314 0.02618903 0.05572317 1.0
O O181 1 0.49995228 0.39883239 0.23993334 1.0
O O182 1 0.49963484 0.14313224 0.36198173 1.0
O O183 1 0.49945467 0.93619378 0.84220507 1.0
O O184 1 0.99512603 0.58234517 0.33211217 1.0
O O185 1 0.50060878 0.05999333 0.90316658 1.0
O O186 1 0.49946387 0.98113949 0.19850531 1.0
O O187 1 0.99506122 0.37388941 0.81134924 1.0
O O188 1 0.99516561 0.75000000 0.25000000 1.0
O O189 1 0.00436136 0.21106864 0.14826793 1.0
O O190 1 0.50413136 0.59970401 0.50720661 1.0
O O191 1 0.50076994 0.89496493 0.23924971 1.0
O O192 1 0.50036516 0.85686776 0.63801827 1.0
O O193 1 0.50092146 0.43811469 0.09640713 1.0
O O194 1 0.50178160 0.23911981 0.57481051 1.0
O O195 1 -0.00014225 0.62389976 0.93455657 1.0