Na5V36O88
传统材料 TRAMP-ID: mp-761084 · 空间群: Pm (#6)
基础信息
化学式
Na5V36O88
MP-ID
mp-761084
元素数
3
位点数
129
密度
3.4249
g/cm³
体积
1,627.54
ų
晶胞参数 a
22.2377
Å
晶胞参数 b
3.6755
Å
晶胞参数 c
20.6960
Å
α 角
90.00
°
β 角
105.82
°
γ 角
90.00
°
空间群
Pm
点群
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
-2.31704
eV/atom
能量/原子
-8.27945
eV/atom
凸包距离
0.0449
eV/atom
未修正能量
-7.3364
eV/atom
体积/原子
12.62
ų
c/a 比
0.9307
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
7.9517
μB
磁有序
FiM
磁性位点数
36
磁化强度/体积
0.004890
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 · 0.682
元素家族
N/A
溶质分数
0.318
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.633
家族
O-rich Multi-Component
基质元素
O · 0.682
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-761084
参考引用
The crystal structure and related material properties of Na5V36O88 were obtained from the Materials Project database (MP-ID: mp-761084, 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_Na5V36O88
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 22.23769727
_cell_length_b 3.67549554
_cell_length_c 20.69595433
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.81535474
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na5V36O88
_chemical_formula_sum 'Na5 V36 O88'
_cell_volume 1627.54008682
_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
Na Na0 1 0.17632150 0.75000000 0.67251892 1.0
Na Na1 1 0.17572590 0.75000000 0.17244690 1.0
Na Na2 1 0.82085970 0.25000000 0.84303002 1.0
Na Na3 1 0.83371215 0.25000000 0.69824179 1.0
Na Na4 1 0.82424569 0.25000000 0.32677136 1.0
V V5 1 0.02566973 0.25000000 0.70154699 1.0
V V6 1 0.09084508 0.75000000 0.93120428 1.0
V V7 1 0.06023673 0.25000000 0.54384623 1.0
V V8 1 0.02527239 0.25000000 0.20222513 1.0
V V9 1 0.09033244 0.75000000 0.43047374 1.0
V V10 1 0.05866430 0.25000000 0.04358660 1.0
V V11 1 0.28483403 0.25000000 0.91376260 1.0
V V12 1 0.25374709 0.75000000 0.52552906 1.0
V V13 1 0.31739603 0.25000000 0.75599258 1.0
V V14 1 0.28500643 0.25000000 0.41375684 1.0
V V15 1 0.36813728 0.75000000 0.66194791 1.0
V V16 1 0.42982067 0.25000000 0.89090371 1.0
V V17 1 0.25413819 0.75000000 0.02572721 1.0
V V18 1 0.31731772 0.25000000 0.25599572 1.0
V V19 1 0.40769196 0.75000000 0.50731891 1.0
V V20 1 0.36812389 0.75000000 0.16200237 1.0
V V21 1 0.43036033 0.25000000 0.39146882 1.0
V V22 1 0.59248394 0.25000000 0.99289626 1.0
V V23 1 0.40721908 0.75000000 0.00678580 1.0
V V24 1 0.57067626 0.75000000 0.60983594 1.0
V V25 1 0.63258782 0.25000000 0.83847775 1.0
V V26 1 0.59336753 0.25000000 0.49314302 1.0
V V27 1 0.68389741 0.75000000 0.74406701 1.0
V V28 1 0.74605848 0.25000000 0.97654354 1.0
V V29 1 0.56988776 0.75000000 0.10894975 1.0
V V30 1 0.63179293 0.25000000 0.33809266 1.0
V V31 1 0.71236113 0.75000000 0.58261763 1.0
V V32 1 0.68261724 0.75000000 0.24422454 1.0
V V33 1 0.74687530 0.25000000 0.47372662 1.0
V V34 1 0.71524955 0.75000000 0.08697526 1.0
V V35 1 0.94114444 0.75000000 0.95686408 1.0
V V36 1 0.91149796 0.25000000 0.56600161 1.0
V V37 1 0.97552946 0.75000000 0.79799136 1.0
V V38 1 0.94112873 0.75000000 0.45481207 1.0
V V39 1 0.91045745 0.25000000 0.06950042 1.0
V V40 1 0.97484204 0.75000000 0.29727170 1.0
O O41 1 0.00564183 0.75000000 0.71414485 1.0
O O42 1 0.08018546 0.25000000 0.95463021 1.0
O O43 1 0.01015665 0.25000000 0.61005560 1.0
O O44 1 0.09391728 0.75000000 0.85361896 1.0
O O45 1 0.04402162 0.75000000 0.52258343 1.0
O O46 1 0.10136740 0.25000000 0.72379454 1.0
O O47 1 0.17286674 0.75000000 0.97894903 1.0
O O48 1 0.00449655 0.75000000 0.21300954 1.0
O O49 1 0.08072007 0.25000000 0.45432288 1.0
O O50 1 0.00785163 0.25000000 0.11023091 1.0
O O51 1 0.12945574 0.25000000 0.59888934 1.0
O O52 1 0.21583547 0.25000000 0.86307176 1.0
O O53 1 0.09537639 0.75000000 0.35388547 1.0
O O54 1 0.04260703 0.75000000 0.02195904 1.0
O O55 1 0.10097289 0.25000000 0.22349231 1.0
O O56 1 0.17309000 0.75000000 0.47973837 1.0
O O57 1 0.24106952 0.25000000 0.73127707 1.0
O O58 1 0.30164268 0.75000000 0.93860169 1.0
O O59 1 0.25024237 0.75000000 0.60388171 1.0
O O60 1 0.12779857 0.25000000 0.09910191 1.0
O O61 1 0.33343774 0.25000000 0.85007318 1.0
O O62 1 0.21599275 0.25000000 0.36314249 1.0
O O63 1 0.26544868 0.25000000 0.50341923 1.0
O O64 1 0.39084684 0.25000000 0.98424427 1.0
O O65 1 0.33610401 0.75000000 0.74782202 1.0
O O66 1 0.34515645 0.25000000 0.67332223 1.0
O O67 1 0.24105992 0.25000000 0.23127840 1.0
O O68 1 0.30162227 0.75000000 0.43869110 1.0
O O69 1 0.42579638 0.75000000 0.91679649 1.0
O O70 1 0.35549027 0.75000000 0.57106694 1.0
O O71 1 0.24970627 0.75000000 0.10376381 1.0
O O72 1 0.43429886 0.25000000 0.81362454 1.0
O O73 1 0.33362568 0.25000000 0.35018781 1.0
O O74 1 0.26516180 0.25000000 0.00322589 1.0
O O75 1 0.44230535 0.75000000 0.69057029 1.0
O O76 1 0.39104487 0.25000000 0.48399269 1.0
O O77 1 0.33623414 0.75000000 0.24790237 1.0
O O78 1 0.51908678 0.25000000 0.94050733 1.0
O O79 1 0.34520556 0.25000000 0.17331186 1.0
O O80 1 0.42593358 0.75000000 0.41664442 1.0
O O81 1 0.35518391 0.75000000 0.07099775 1.0
O O82 1 0.48111637 0.75000000 0.55958736 1.0
O O83 1 0.55825913 0.25000000 0.80924773 1.0
O O84 1 0.43453307 0.25000000 0.31424710 1.0
O O85 1 0.56478782 0.75000000 0.68633678 1.0
O O86 1 0.44231750 0.75000000 0.19034758 1.0
O O87 1 0.51893617 0.25000000 0.44089567 1.0
O O88 1 0.64343844 0.25000000 0.92932463 1.0
O O89 1 0.57391961 0.25000000 0.58421846 1.0
O O90 1 0.65509778 0.75000000 0.82647395 1.0
O O91 1 0.48056846 0.75000000 0.05947869 1.0
O O92 1 0.66552057 0.25000000 0.75316581 1.0
O O93 1 0.61150568 0.75000000 0.51889467 1.0
O O94 1 0.55753321 0.25000000 0.30962727 1.0
O O95 1 0.73422465 0.75000000 0.99778961 1.0
O O96 1 0.66533125 0.75000000 0.65100715 1.0
O O97 1 0.56555119 0.75000000 0.18626343 1.0
O O98 1 0.74677032 0.25000000 0.89699588 1.0
O O99 1 0.64511797 0.25000000 0.42847707 1.0
O O100 1 0.57412341 0.25000000 0.08326101 1.0
O O101 1 0.69699525 0.25000000 0.56044725 1.0
O O102 1 0.76151835 0.75000000 0.76724390 1.0
O O103 1 0.65486412 0.75000000 0.32659590 1.0
O O104 1 0.66385727 0.25000000 0.25202685 1.0
O O105 1 0.60865257 0.75000000 0.01558439 1.0
O O106 1 0.73501127 0.75000000 0.49524688 1.0
O O107 1 0.78250458 0.75000000 0.63723590 1.0
O O108 1 0.66640485 0.75000000 0.14991655 1.0
O O109 1 0.87171933 0.75000000 0.90106086 1.0
O O110 1 0.75103932 0.25000000 0.39573953 1.0
O O111 1 0.69882316 0.25000000 0.06144121 1.0
O O112 1 0.75890921 0.75000000 0.26874576 1.0
O O113 1 0.82760686 0.25000000 0.52058167 1.0
O O114 1 0.89837531 0.75000000 0.77206432 1.0
O O115 1 0.95727064 0.25000000 0.97769356 1.0
O O116 1 0.90873167 0.25000000 0.64486903 1.0
O O117 1 0.78433367 0.75000000 0.13754248 1.0
O O118 1 0.87195708 0.75000000 0.39951877 1.0
O O119 1 0.99078548 0.75000000 0.88832561 1.0
O O120 1 0.91954936 0.75000000 0.54337755 1.0
O O121 1 0.99470881 0.25000000 0.78632125 1.0
O O122 1 0.82659565 0.25000000 0.01955118 1.0
O O123 1 0.89912325 0.75000000 0.27594847 1.0
O O124 1 0.95705195 0.25000000 0.47815106 1.0
O O125 1 0.90465935 0.25000000 0.14590975 1.0
O O126 1 0.99231175 0.75000000 0.38928680 1.0
O O127 1 0.91893567 0.75000000 0.04517991 1.0
O O128 1 0.99557390 0.25000000 0.28650424 1.0