Zn(Bi19O30)2
传统材料 TRAMP-ID: mp-685869 · 空间群: C2 (#5)
基础信息
化学式
Zn(Bi19O30)2
MP-ID
mp-685869
元素数
3
位点数
198
密度
8.8704
g/cm³
体积
3,357.11
ų
晶胞参数 a
8.9959
Å
晶胞参数 b
8.9959
Å
晶胞参数 c
53.9175
Å
α 角
109.48
°
β 角
109.43
°
γ 角
109.55
°
空间群
C2
点群
2
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
-1.58836
eV/atom
能量/原子
-6.09299
eV/atom
凸包距离
0.0403
eV/atom
未修正能量
-5.6766
eV/atom
体积/原子
16.96
ų
c/a 比
5.9935
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
0.4286
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000130
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 · 0.606
元素家族
N/A
溶质分数
0.394
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.627
家族
O-rich Multi-Component
基质元素
O · 0.606
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-685869
参考引用
The crystal structure and related material properties of Zn(Bi19O30)2 were obtained from the Materials Project database (MP-ID: mp-685869, 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(Bi19O30)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.99593737
_cell_length_b 8.99593791
_cell_length_c 53.91745002
_cell_angle_alpha 109.47806059
_cell_angle_beta 109.43374986
_cell_angle_gamma 109.54550438
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn(Bi19O30)2
_chemical_formula_sum 'Zn2 Bi76 O120'
_cell_volume 3357.11193101
_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
Zn Zn0 1 0.00019042 0.00084290 0.00062411 1.0
Zn Zn1 1 0.99709826 0.99644578 0.16604289 1.0
Bi Bi2 1 0.18272452 0.86725210 0.95137737 1.0
Bi Bi3 1 0.14360445 0.33002354 0.97356018 1.0
Bi Bi4 1 0.17606063 0.51917934 0.88743391 1.0
Bi Bi5 1 0.19712318 0.85766185 0.78329460 1.0
Bi Bi6 1 0.35046129 0.83944997 0.85942258 1.0
Bi Bi7 1 0.50669450 0.67973795 0.96937372 1.0
Bi Bi8 1 0.14486924 0.34410037 0.80778445 1.0
Bi Bi9 1 0.32031852 0.17139169 0.91932057 1.0
Bi Bi10 1 0.69160604 0.82089480 0.92160579 1.0
Bi Bi11 1 0.16250596 0.49932114 0.71794701 1.0
Bi Bi12 1 0.19183018 0.85633912 0.61536874 1.0
Bi Bi13 1 0.50774480 0.30880060 0.86176159 1.0
Bi Bi14 1 0.33596345 0.83675780 0.69066953 1.0
Bi Bi15 1 0.49895452 0.66084127 0.80123323 1.0
Bi Bi16 1 0.70193388 0.18368354 0.97877416 1.0
Bi Bi17 1 0.14332299 0.33633386 0.63943477 1.0
Bi Bi18 1 0.81874482 0.51954555 0.94901576 1.0
Bi Bi19 1 0.30714078 0.16235182 0.75016415 1.0
Bi Bi20 1 0.66118047 0.80519036 0.75005154 1.0
Bi Bi21 1 0.16412467 0.49961572 0.55129726 1.0
Bi Bi22 1 0.85509918 0.69932958 0.86630050 1.0
Bi Bi23 1 0.00257538 0.00201357 0.83407337 1.0
Bi Bi24 1 0.19163911 0.85482393 0.44871999 1.0
Bi Bi25 1 0.49878997 0.30645957 0.69370494 1.0
Bi Bi26 1 0.33556940 0.83627353 0.52393975 1.0
Bi Bi27 1 0.69622616 0.19553539 0.80946043 1.0
Bi Bi28 1 0.84280928 0.15588788 0.89170933 1.0
Bi Bi29 1 0.50067711 0.66532158 0.63478456 1.0
Bi Bi30 1 0.14423195 0.33656235 0.47296206 1.0
Bi Bi31 1 0.30724967 0.16420433 0.58329263 1.0
Bi Bi32 1 0.80599830 0.50017997 0.77685785 1.0
Bi Bi33 1 0.66444854 0.80749389 0.58337437 1.0
Bi Bi34 1 0.15789427 0.49735560 0.38337240 1.0
Bi Bi35 1 0.85663737 0.69189051 0.69870673 1.0
Bi Bi36 1 0.19457790 0.85145919 0.27923309 1.0
Bi Bi37 1 0.49972722 0.30671635 0.52723223 1.0
Bi Bi38 1 0.33877283 0.83946361 0.35720657 1.0
Bi Bi39 1 0.69263305 0.19192892 0.64272625 1.0
Bi Bi40 1 0.83803080 0.14399681 0.72317837 1.0
Bi Bi41 1 0.49964812 0.66439498 0.46795927 1.0
Bi Bi42 1 0.13822905 0.33717325 0.30490441 1.0
Bi Bi43 1 0.30487911 0.16086922 0.41661446 1.0
Bi Bi44 1 0.80758446 0.50027816 0.61069771 1.0
Bi Bi45 1 0.85661421 0.69196974 0.53188244 1.0
Bi Bi46 1 0.66136893 0.80615790 0.41650285 1.0
Bi Bi47 1 0.15898986 0.47446228 0.21528963 1.0
Bi Bi48 1 0.00001240 0.00021607 0.66657284 1.0
Bi Bi49 1 0.00078103 0.00057737 0.50009416 1.0
Bi Bi50 1 0.18482266 0.86302648 0.11529936 1.0
Bi Bi51 1 0.49739169 0.29816056 0.35888155 1.0
Bi Bi52 1 0.31104060 0.82929094 0.18789284 1.0
Bi Bi53 1 0.83609390 0.14340020 0.55596929 1.0
Bi Bi54 1 0.69274060 0.19194625 0.47599747 1.0
Bi Bi55 1 0.50152655 0.65729615 0.30036650 1.0
Bi Bi56 1 0.13588987 0.32169074 0.13785528 1.0
Bi Bi57 1 0.29126005 0.16197130 0.24506121 1.0
Bi Bi58 1 0.80492862 0.49896261 0.44348863 1.0
Bi Bi59 1 0.85344386 0.69155712 0.36543377 1.0
Bi Bi60 1 0.65546627 0.80439310 0.24734543 1.0
Bi Bi61 1 0.17122831 0.49302450 0.05136664 1.0
Bi Bi62 1 0.48866247 0.30224339 0.19310682 1.0
Bi Bi63 1 0.32610942 0.83073307 0.02341432 1.0
Bi Bi64 1 0.50815651 0.67727629 0.13556876 1.0
Bi Bi65 1 0.83903085 0.14484919 0.38980815 1.0
Bi Bi66 1 0.68291650 0.19392781 0.30724442 1.0
Bi Bi67 1 0.30316060 0.16919041 0.08137742 1.0
Bi Bi68 1 0.80562993 0.49255132 0.27495667 1.0
Bi Bi69 1 0.68092592 0.81489611 0.08528958 1.0
Bi Bi70 1 0.86349362 0.69045018 0.19729228 1.0
Bi Bi71 1 0.99757136 0.99813317 0.33259263 1.0
Bi Bi72 1 0.49456104 0.30876016 0.02881172 1.0
Bi Bi73 1 0.82545099 0.12465026 0.21765124 1.0
Bi Bi74 1 0.69024513 0.18562149 0.14325168 1.0
Bi Bi75 1 0.81380097 0.50794787 0.11287213 1.0
Bi Bi76 1 0.86386375 0.69474397 0.03109824 1.0
Bi Bi77 1 0.83071710 0.13657020 0.05379487 1.0
O O78 1 0.24069320 0.61768121 0.98046130 1.0
O O79 1 0.11474041 0.74103174 0.89246798 1.0
O O80 1 0.37387864 0.75531474 0.93933075 1.0
O O81 1 0.26495738 0.38021779 0.93741897 1.0
O O82 1 0.37154668 -0.00026866 0.83304368 1.0
O O83 1 0.24441878 0.62563279 0.81442227 1.0
O O84 1 0.35511676 0.11866450 0.95725037 1.0
O O85 1 0.23114951 0.23006546 0.87104572 1.0
O O86 1 0.37795856 0.62844581 0.87665155 1.0
O O87 1 0.11669005 0.73779618 0.72599962 1.0
O O88 1 0.62198801 0.62139251 0.93722263 1.0
O O89 1 0.37955913 0.75492134 0.77327564 1.0
O O90 1 0.62724492 0.88679862 0.87282242 1.0
O O91 1 0.63687159 0.37528286 0.95989933 1.0
O O92 1 0.26121826 0.37738465 0.76973913 1.0
O O93 1 0.35529695 0.11568558 0.78940506 1.0
O O94 1 0.24397885 0.62347698 0.64728768 1.0
O O95 1 0.62680917 0.25944251 0.89651765 1.0
O O96 1 0.99527830 0.99036117 0.96136691 1.0
O O97 1 0.23830226 0.23902720 0.70591739 1.0
O O98 1 0.00194835 0.76321362 0.50050773 1.0
O O99 1 0.37619832 0.62048511 0.71005373 1.0
O O100 1 0.11642076 0.73940912 0.56015744 1.0
O O101 1 0.76143813 0.64281532 0.89708475 1.0
O O102 1 0.76819189 0.99678093 0.83167113 1.0
O O103 1 0.62693053 0.62657488 0.77111281 1.0
O O104 1 0.00051596 0.00083380 0.89462959 1.0
O O105 1 0.62223280 0.88322265 0.70717324 1.0
O O106 1 0.37846448 0.75547612 0.60650956 1.0
O O107 1 0.73930233 0.35654525 0.85248356 1.0
O O108 1 0.63821357 0.37929374 0.79225017 1.0
O O109 1 0.88400094 0.23587474 0.93746807 1.0
O O110 1 0.26080313 0.37729116 0.60361281 1.0
O O111 1 0.36982031 -0.00047468 0.66652916 1.0
O O112 1 0.37009021 0.99970383 0.50002915 1.0
O O113 1 0.36089489 0.11666677 0.62327695 1.0
O O114 1 0.62016940 0.25981276 0.72920213 1.0
O O115 1 0.24407890 0.62360645 0.48064272 1.0
O O116 1 0.99446211 0.76750357 0.83205613 1.0
O O117 1 0.99762644 0.99674653 0.79519149 1.0
O O118 1 0.23900721 0.23950646 0.53985614 1.0
O O119 1 0.75558077 0.63970175 0.72983779 1.0
O O120 1 0.37700505 0.62123318 0.54339005 1.0
O O121 1 0.11526551 0.73990330 0.39339036 1.0
O O122 1 0.99726642 0.37180577 0.83313614 1.0
O O123 1 0.62999930 0.62997826 0.60505812 1.0
O O124 1 0.73974814 0.36022060 0.68602328 1.0
O O125 1 0.62302787 0.88333596 0.54069281 1.0
O O126 1 0.38180048 0.76069435 0.44066738 1.0
O O127 1 0.88487396 0.24307685 0.77052133 1.0
O O128 1 0.63917709 0.37886900 0.62597319 1.0
O O129 1 0.26067702 0.37655604 0.43682921 1.0
O O130 1 0.36016071 0.11587391 0.45661227 1.0
O O131 1 0.24164386 0.62440094 0.31418344 1.0
O O132 1 0.62117194 0.26033711 0.56281407 1.0
O O133 1 0.22559762 0.22647753 0.37147551 1.0
O O134 1 0.00036760 -0.00013165 0.62680986 1.0
O O135 1 0.00008974 0.76149159 0.66655926 1.0
O O136 1 0.75561629 0.63912826 0.56305419 1.0
O O137 1 0.37925721 0.61886858 0.37726194 1.0
O O138 1 0.11933022 0.73789412 0.22733625 1.0
O O139 1 0.76016724 0.99890197 0.66615927 1.0
O O140 1 0.76213804 0.00073618 0.50010774 1.0
O O141 1 -0.00096466 0.99866583 0.72823790 1.0
O O142 1 0.62923641 0.62960592 0.43842810 1.0
O O143 1 -0.00047109 0.36991529 0.66663785 1.0
O O144 1 0.99962952 0.99965056 0.56160888 1.0
O O145 1 0.73975092 0.36025278 0.51937932 1.0
O O146 1 0.38622188 0.75993056 0.27419802 1.0
O O147 1 0.62579270 0.88471253 0.37441683 1.0
O O148 1 0.64018319 0.37919334 0.45949376 1.0
O O149 1 0.88345071 0.24428554 0.60385193 1.0
O O150 1 0.26030480 0.37892761 0.26958125 1.0
O O151 1 0.37298693 0.99844757 0.33352986 1.0
O O152 1 0.36853652 0.11804927 0.29001545 1.0
O O153 1 0.23816470 0.61647635 0.14655343 1.0
O O154 1 0.61994888 0.26174599 0.39614567 1.0
O O155 1 0.22216172 0.22707884 0.20530009 1.0
O O156 1 0.99235595 0.76730261 0.99905764 1.0
O O157 1 0.75894787 0.64278147 0.39692687 1.0
O O158 1 0.37516029 0.61161256 0.20941563 1.0
O O159 1 0.11802262 0.73575929 0.05988571 1.0
O O160 1 0.63305627 0.63273843 0.27203741 1.0
O O161 1 0.00035237 0.37064736 0.50013784 1.0
O O162 1 0.73910118 0.35788718 0.35224473 1.0
O O163 1 0.61588887 0.87747760 0.20676767 1.0
O O164 1 0.37644504 0.75870837 0.10678129 1.0
O O165 1 0.64986610 0.39031239 0.29384458 1.0
O O166 1 0.88459995 0.24495659 0.43746487 1.0
O O167 1 0.26418991 0.38216830 0.10387057 1.0
O O168 1 0.37665138 0.99919527 0.16643593 1.0
O O169 1 0.35998462 0.11842131 0.12279873 1.0
O O170 1 0.61106833 0.25919453 0.22919893 1.0
O O171 1 0.00352287 0.00279792 0.46074961 1.0
O O172 1 0.00379317 0.00487721 0.29562128 1.0
O O173 1 0.00675216 0.77816313 0.33499487 1.0
O O174 1 0.22617731 0.22718603 0.03808326 1.0
O O175 1 0.75570397 0.64044357 0.22924803 1.0
O O176 1 0.38162894 0.62319225 0.04386827 1.0
O O177 1 0.77516479 0.00212333 0.33460987 1.0
O O178 1 -0.00009996 0.00025569 0.39555419 1.0
O O179 1 0.00146725 0.37328259 0.33362232 1.0
O O180 1 0.99805472 0.99865022 0.22944337 1.0
O O181 1 0.62370662 0.62372403 0.10401392 1.0
O O182 1 0.73491140 0.35792339 0.18620470 1.0
O O183 1 0.61626605 0.88170414 0.03967326 1.0
O O184 1 0.88033864 0.24770529 0.27014935 1.0
O O185 1 0.64366255 0.37822446 0.12699274 1.0
O O186 1 0.37737877 -0.00005063 0.00023474 1.0
O O187 1 0.62328867 0.26483248 0.06391224 1.0
O O188 1 0.99868449 0.99767577 0.12858274 1.0
O O189 1 0.00573336 0.77472829 0.16752685 1.0
O O190 1 0.75894690 0.64096851 0.06279643 1.0
O O191 1 0.77295674 0.99801008 0.16760936 1.0
O O192 1 0.99964053 0.99962312 0.06265308 1.0
O O193 1 0.99854093 0.37597032 0.16643226 1.0
O O194 1 0.73715575 0.35884410 0.02011357 1.0
O O195 1 0.88135706 0.23981326 0.10275376 1.0
O O196 1 0.76956916 0.00057424 0.99914015 1.0
O O197 1 0.00058171 0.37803781 0.00023107 1.0