SnO2

传统材料 TRA

MP-ID: mp-1244894 · 空间群: P1 (#1)

Materials Project API

基础信息

化学式

SnO2

MP-ID

mp-1244894

元素数

位点数

102

密度

5.8514

g/cm³

体积

1,454.15

Å³

晶胞参数 a

11.8134

晶胞参数 b

10.3109

晶胞参数 c

11.9729

α 角

85.76

β 角

89.74

γ 角

90.95

空间群

点群

晶体系统

Triclinic

Bravais 格子

稳定性

堆积分数

能量属性

形成能/原子

-1.32555

eV/atom

能量/原子

-5.96071

eV/atom

凸包距离

0.7819

eV/atom

未修正能量

-5.8534

eV/atom

体积/原子

14.26

Å³

c/a 比

1.0135

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

总磁矩

0.0000

μB

磁有序

磁性位点数

磁化强度/体积

0.000000

μB/Å³

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 · 0.667

元素家族

N/A

溶质分数

0.333

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.503

家族

Binary Alloy

基质元素

O · 0.667

关联任务

关联的计算任务 ID（1 个）

aaacsvoo

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1244894

参考引用

The crystal structure and related material properties of SnO2 were obtained from the Materials Project database (MP-ID: mp-1244894, 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_SnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81339825
_cell_length_b   10.31089823
_cell_length_c   11.97287896
_cell_angle_alpha   85.75502628
_cell_angle_beta   89.74109872
_cell_angle_gamma   90.95248506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnO2
_chemical_formula_sum   'Sn34 O68'
_cell_volume   1454.15151622
_cell_formula_units_Z   34
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
  Sn  Sn0  1  0.52904618  0.38423183  0.83501150  1.0
  Sn  Sn1  1  0.26764336  0.06570228  0.28393228  1.0
  Sn  Sn2  1  0.40158729  0.81446290  0.11198928  1.0
  Sn  Sn3  1  0.05039750  0.11648915  0.48699353  1.0
  Sn  Sn4  1  0.11118254  0.55637321  0.00181639  1.0
  Sn  Sn5  1  0.75904168  0.50875856  0.94651913  1.0
  Sn  Sn6  1  0.91721682  0.47263370  0.26128712  1.0
  Sn  Sn7  1  0.17511212  0.36075784  0.26090839  1.0
  Sn  Sn8  1  0.69553645  0.94366912  0.62708607  1.0
  Sn  Sn9  1  0.88205826  0.78647206  0.40218224  1.0
  Sn  Sn10  1  0.90724110  0.73872069  0.03177082  1.0
  Sn  Sn11  1  0.34387878  0.74726500  0.55166484  1.0
  Sn  Sn12  1  0.51881766  0.68235616  0.76497157  1.0
  Sn  Sn13  1  0.90252300  0.00243086  0.81171203  1.0
  Sn  Sn14  1  0.68052020  0.69697205  0.21247110  1.0
  Sn  Sn15  1  0.59251527  0.02503386  0.87929367  1.0
  Sn  Sn16  1  0.80928525  0.39793108  0.56626981  1.0
  Sn  Sn17  1  0.07934083  0.50343977  0.50309140  1.0
  Sn  Sn18  1  0.55477771  0.21504777  0.58672753  1.0
  Sn  Sn19  1  0.16781122  0.95213673  0.02072908  1.0
  Sn  Sn20  1  0.90875031  0.69781497  0.67900671  1.0
  Sn  Sn21  1  0.34226376  0.41984832  0.49008369  1.0
  Sn  Sn22  1  0.61823654  0.34732258  0.33562481  1.0
  Sn  Sn23  1  0.17428634  0.88582525  0.79820656  1.0
  Sn  Sn24  1  0.97371760  0.24345442  0.03802769  1.0
  Sn  Sn25  1  0.59798990  0.66226338  0.47510206  1.0
  Sn  Sn26  1  0.17655481  0.72444327  0.30213872  1.0
  Sn  Sn27  1  0.69921272  0.24691060  0.12018200  1.0
  Sn  Sn28  1  0.56107712  0.97967813  0.35272577  1.0
  Sn  Sn29  1  0.40889424  0.48817992  0.14972033  1.0
  Sn  Sn30  1  0.34204940  0.21411607  0.00375183  1.0
  Sn  Sn31  1  0.04853627  0.31336275  0.76919873  1.0
  Sn  Sn32  1  0.28284087  0.17838434  0.73948801  1.0
  Sn  Sn33  1  0.93208996  0.98247449  0.20205662  1.0
  O  O34  1  0.13418278  0.17231279  0.32649574  1.0
  O  O35  1  0.44899807  0.57056393  0.53402666  1.0
  O  O36  1  0.29810448  0.98651949  0.71585197  1.0
  O  O37  1  0.21828648  0.38940615  0.73758196  1.0
  O  O38  1  0.97500403  0.44990544  0.65568919  1.0
  O  O39  1  0.98992400  0.67730669  0.51203605  1.0
  O  O40  1  0.51172985  0.65494047  0.12826195  1.0
  O  O41  1  0.19381714  0.97895830  0.43536361  1.0
  O  O42  1  0.48920474  0.32253766  0.44742751  1.0
  O  O43  1  0.64837617  0.34140987  0.95297740  1.0
  O  O44  1  0.68871267  0.81023730  0.36520823  1.0
  O  O45  1  0.83729062  0.83152333  0.15807313  1.0
  O  O46  1  0.63335215  0.88131110  0.13533646  1.0
  O  O47  1  0.64207342  0.56449514  0.82937612  1.0
  O  O48  1  0.95173109  0.17840551  0.87149267  1.0
  O  O49  1  0.93214228  0.40882790  0.43778035  1.0
  O  O50  1  0.54430384  0.36570815  0.18216939  1.0
  O  O51  1  0.41681106  0.07755816  0.34869471  1.0
  O  O52  1  0.30478625  0.67342168  0.19648592  1.0
  O  O53  1  0.38168466  0.25356008  0.61346417  1.0
  O  O54  1  0.47547507  0.80663344  0.42505594  1.0
  O  O55  1  0.41450861  0.39459329  0.99574773  1.0
  O  O56  1  0.93522663  0.92171527  0.96272165  1.0
  O  O57  1  0.57231770  0.05337555  0.70648578  1.0
  O  O58  1  0.64274782  0.14803346  0.27778312  1.0
  O  O59  1  0.83757855  0.36125983  0.03235546  1.0
  O  O60  1  0.23643381  0.90338952  0.19910951  1.0
  O  O61  1  0.84553335  0.12622256  0.11515636  1.0
  O  O62  1  0.61154568  0.04575541  0.50213428  1.0
  O  O63  1  0.52636679  0.92544732  0.18360694  1.0
  O  O64  1  0.70015131  0.28818795  0.48505210  1.0
  O  O65  1  0.81949642  0.11221787  0.68122627  1.0
  O  O66  1  0.74048973  0.57656820  0.55566253  1.0
  O  O67  1  0.88478698  0.22959081  0.64376583  1.0
  O  O68  1  0.60429116  0.55836383  0.33387091  1.0
  O  O69  1  0.82897931  0.63069181  0.30964008  1.0
  O  O70  1  0.38880954  0.78040615  0.94093589  1.0
  O  O71  1  0.34787881  0.00841909  0.03240461  1.0
  O  O72  1  0.59731884  0.77130695  0.62764774  1.0
  O  O73  1  0.49833314  0.82045553  0.88277032  1.0
  O  O74  1  0.01587475  0.32991793  0.19051704  1.0
  O  O75  1  0.76707238  0.37336337  0.24281650  1.0
  O  O76  1  0.96977978  0.56875195  0.10759872  1.0
  O  O77  1  0.43574144  0.20520380  0.85057396  1.0
  O  O78  1  0.89228657  0.98693545  0.36396138  1.0
  O  O79  1  0.06557295  0.07269857  0.10619507  1.0
  O  O80  1  0.12733444  0.60965838  0.82966955  1.0
  O  O81  1  0.01332876  0.89079132  0.72876709  1.0
  O  O82  1  0.20864320  0.83985985  0.44693352  1.0
  O  O83  1  0.82701729  0.84603185  0.56209773  1.0
  O  O84  1  0.22459531  0.46577181  0.10498781  1.0
  O  O85  1  0.74374759  0.63620933  0.06670923  1.0
  O  O86  1  0.17712482  0.34942790  0.45528623  1.0
  O  O87  1  0.88955065  0.63058694  0.89348565  1.0
  O  O88  1  0.42409972  0.52352810  0.77267459  1.0
  O  O89  1  0.20978999  0.18097812  0.90119070  1.0
  O  O90  1  0.05661809  0.38405476  0.93225012  1.0
  O  O91  1  0.11560618  0.16758000  0.68244404  1.0
  O  O92  1  0.27827828  0.21833758  0.16222312  1.0
  O  O93  1  0.62193231  0.33447814  0.69723108  1.0
  O  O94  1  0.33384189  0.42613245  0.30393436  1.0
  O  O95  1  0.21688476  0.69609681  0.78764959  1.0
  O  O96  1  0.74505835  0.91168737  0.79491976  1.0
  O  O97  1  0.08653790  0.53783815  0.31025172  1.0
  O  O98  1  0.23620374  0.61338646  0.45430669  1.0
  O  O99  1  0.22553156  0.47510510  0.63395110  1.0
  O  O100  1  0.02482822  0.81401738  0.28387252  1.0
  O  O101  1  0.10151999  0.75594201  0.03460462  1.0

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