Sr7Nb34O52
传统材料 TRAMP-ID: mp-1101427 · 空间群: Cm (#8)
基础信息
化学式
Sr7Nb34O52
MP-ID
mp-1101427
元素数
3
位点数
93
密度
6.1666
g/cm³
体积
1,239.80
ų
晶胞参数 a
12.8506
Å
晶胞参数 b
12.8506
Å
晶胞参数 c
17.1771
Å
α 角
48.18
°
β 角
48.18
°
γ 角
38.07
°
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
-2.73324
eV/atom
能量/原子
-9.32018
eV/atom
凸包距离
0.0109
eV/atom
未修正能量
-8.9361
eV/atom
体积/原子
13.33
ų
c/a 比
1.3367
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
0.0001
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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 · 0.559
元素家族
N/A
溶质分数
0.441
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.560
家族
O-rich Multi-Component
基质元素
O · 0.559
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-1101427
参考引用
The crystal structure and related material properties of Sr7Nb34O52 were obtained from the Materials Project database (MP-ID: mp-1101427, 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_Sr7Nb34O52
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.85057224
_cell_length_b 12.85057224
_cell_length_c 17.17712664
_cell_angle_alpha 48.18172149
_cell_angle_beta 48.18172149
_cell_angle_gamma 38.06622116
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7Nb34O52
_chemical_formula_sum 'Sr7 Nb34 O52'
_cell_volume 1239.79823764
_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
Sr Sr0 1 0.35133800 0.35133800 0.74244400 1.0
Sr Sr1 1 0.08985500 0.08985500 0.55703300 1.0
Sr Sr2 1 0.58938600 0.58938600 0.55694900 1.0
Sr Sr3 1 0.90629900 0.90629900 0.44977100 1.0
Sr Sr4 1 0.40736900 0.40736900 0.44740600 1.0
Sr Sr5 1 0.64459100 0.64459100 0.26405300 1.0
Sr Sr6 1 0.14499900 0.14499900 0.26362500 1.0
Nb Nb7 1 0.45730000 0.95109400 0.97089100 1.0
Nb Nb8 1 0.95109400 0.45730000 0.97089100 1.0
Nb Nb9 1 0.90950800 0.90950800 0.93735000 1.0
Nb Nb10 1 0.41017800 0.41017800 0.93620400 1.0
Nb Nb11 1 0.37085800 0.87087900 0.90889500 1.0
Nb Nb12 1 0.87087900 0.37085800 0.90889500 1.0
Nb Nb13 1 0.77870500 0.27831400 0.84911500 1.0
Nb Nb14 1 0.27831400 0.77870500 0.84911500 1.0
Nb Nb15 1 0.18652100 0.69240400 0.79320800 1.0
Nb Nb16 1 0.69240400 0.18652100 0.79320800 1.0
Nb Nb17 1 0.15386400 0.15386400 0.75639200 1.0
Nb Nb18 1 0.65305500 0.65305500 0.75688500 1.0
Nb Nb19 1 0.01389300 0.51825800 0.67609100 1.0
Nb Nb20 1 0.51825800 0.01389300 0.67609100 1.0
Nb Nb21 1 0.92622900 0.42604800 0.62224900 1.0
Nb Nb22 1 0.42604800 0.92622900 0.62224900 1.0
Nb Nb23 1 0.24708900 0.75027200 0.50211400 1.0
Nb Nb24 1 0.75027200 0.24708900 0.50211400 1.0
Nb Nb25 1 0.07375900 0.57378100 0.37861500 1.0
Nb Nb26 1 0.57378100 0.07375900 0.37861500 1.0
Nb Nb27 1 0.98424800 0.48429600 0.32523500 1.0
Nb Nb28 1 0.48429600 0.98424800 0.32523500 1.0
Nb Nb29 1 0.84650300 0.84650300 0.24379300 1.0
Nb Nb30 1 0.34637700 0.34637700 0.24372100 1.0
Nb Nb31 1 0.80999400 0.30974300 0.20555700 1.0
Nb Nb32 1 0.30974300 0.80999400 0.20555700 1.0
Nb Nb33 1 0.22029400 0.72108600 0.15114700 1.0
Nb Nb34 1 0.72108600 0.22029400 0.15114700 1.0
Nb Nb35 1 0.62809900 0.12850900 0.09176100 1.0
Nb Nb36 1 0.12850900 0.62809900 0.09176100 1.0
Nb Nb37 1 0.58900500 0.58900500 0.06373300 1.0
Nb Nb38 1 0.09083300 0.09083300 0.06220300 1.0
Nb Nb39 1 0.04743100 0.54696900 0.02648800 1.0
Nb Nb40 1 0.54696900 0.04743100 0.02648800 1.0
O O41 1 0.20882000 0.20882000 0.96493200 1.0
O O42 1 0.70675100 0.70675100 0.96959600 1.0
O O43 1 0.61588100 0.61588100 0.91367000 1.0
O O44 1 0.11577800 0.11577800 0.91376300 1.0
O O45 1 0.08755300 0.56293500 0.87847600 1.0
O O46 1 0.56293500 0.08755300 0.87847600 1.0
O O47 1 0.52952100 0.52952100 0.85341100 1.0
O O48 1 0.02973400 0.02973400 0.85386100 1.0
O O49 1 0.48055300 0.00093000 0.81918600 1.0
O O50 1 0.00093000 0.48055300 0.81918600 1.0
O O51 1 0.94852800 0.94852800 0.78118800 1.0
O O52 1 0.44441500 0.44441500 0.78387100 1.0
O O53 1 0.31111300 0.80983800 0.69679400 1.0
O O54 1 0.80983800 0.31111300 0.69679400 1.0
O O55 1 0.77208000 0.77208000 0.66758500 1.0
O O56 1 0.27251600 0.27251600 0.67118200 1.0
O O57 1 0.70682400 0.23306000 0.64178500 1.0
O O58 1 0.23306000 0.70682400 0.64178500 1.0
O O59 1 0.67257200 0.67257200 0.61769100 1.0
O O60 1 0.17272700 0.17272700 0.61769500 1.0
O O61 1 0.14803400 0.63373000 0.56847600 1.0
O O62 1 0.63373000 0.14803400 0.56847600 1.0
O O63 1 0.54626700 0.04784700 0.52843000 1.0
O O64 1 0.04784700 0.54626700 0.52843000 1.0
O O65 1 0.00468000 0.00468000 0.49247300 1.0
O O66 1 0.50169700 0.50169700 0.49599600 1.0
O O67 1 0.45203100 0.95247600 0.47274200 1.0
O O68 1 0.95247600 0.45203100 0.47274200 1.0
O O69 1 0.36234100 0.86203500 0.42335000 1.0
O O70 1 0.86203500 0.36234100 0.42335000 1.0
O O71 1 0.82726600 0.82726600 0.38288800 1.0
O O72 1 0.32731800 0.32731800 0.38254300 1.0
O O73 1 0.28855700 0.78756300 0.35029500 1.0
O O74 1 0.78756300 0.28855700 0.35029500 1.0
O O75 1 0.72740300 0.72740300 0.32815400 1.0
O O76 1 0.22713600 0.22713600 0.32848900 1.0
O O77 1 0.18901800 0.68991900 0.30366400 1.0
O O78 1 0.68991900 0.18901800 0.30366400 1.0
O O79 1 0.55577400 0.55577400 0.21682800 1.0
O O80 1 0.05653400 0.05653400 0.21604000 1.0
O O81 1 0.00735500 0.50635800 0.18292800 1.0
O O82 1 0.50635800 0.00735500 0.18292800 1.0
O O83 1 0.97003600 0.97003600 0.14660700 1.0
O O84 1 0.46928300 0.46928300 0.14716700 1.0
O O85 1 0.92472000 0.42479900 0.12247100 1.0
O O86 1 0.42479900 0.92472000 0.12247100 1.0
O O87 1 0.88328700 0.88328700 0.08726200 1.0
O O88 1 0.38329100 0.38329100 0.08709200 1.0
O O89 1 0.79004600 0.79004600 0.03778100 1.0
O O90 1 0.29040500 0.29040500 0.03801600 1.0
O O91 1 0.24897100 0.74963500 0.00057800 1.0
O O92 1 0.74963500 0.24897100 0.00057800 1.0