Cd18Sn19O56
传统材料 TRAMP-ID: mp-685363 · 空间群: P1 (#1)
基础信息
化学式
Cd18Sn19O56
MP-ID
mp-685363
元素数
3
位点数
93
密度
6.1199
g/cm³
体积
1,404.12
ų
晶胞参数 a
6.5509
Å
晶胞参数 b
6.6884
Å
晶胞参数 c
46.5383
Å
α 角
59.00
°
β 角
58.74
°
γ 角
58.83
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-1.72229
eV/atom
能量/原子
-5.70668
eV/atom
凸包距离
0.1242
eV/atom
未修正能量
-5.2930
eV/atom
体积/原子
15.10
ų
c/a 比
7.1041
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
0.5758
μB
磁有序
FM
磁性位点数
1
磁化强度/体积
0.000410
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 · 0.602
元素家族
N/A
溶质分数
0.398
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.454
家族
O-rich Multi-Component
基质元素
O · 0.602
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-685363
参考引用
The crystal structure and related material properties of Cd18Sn19O56 were obtained from the Materials Project database (MP-ID: mp-685363, 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_Cd18Sn19O56
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55087092
_cell_length_b 6.68834848
_cell_length_c 46.53825665
_cell_angle_alpha 59.00051121
_cell_angle_beta 58.73646288
_cell_angle_gamma 58.82751901
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd18Sn19O56
_chemical_formula_sum 'Cd18 Sn19 O56'
_cell_volume 1404.11577363
_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
Cd Cd0 1 0.12687875 0.11507571 0.30518954 1.0
Cd Cd1 1 0.50020501 0.50177043 0.21312420 1.0
Cd Cd2 1 0.15045472 0.11158774 0.44145409 1.0
Cd Cd3 1 0.86706836 0.87742841 0.12604660 1.0
Cd Cd4 1 0.50055788 0.50032936 0.35697343 1.0
Cd Cd5 1 0.12826201 0.11535303 0.59051049 1.0
Cd Cd6 1 0.85366577 0.89080744 0.27199491 1.0
Cd Cd7 1 0.49988148 0.49989503 0.50004369 1.0
Cd Cd8 1 0.14999511 0.11109498 0.72733796 1.0
Cd Cd9 1 0.87148905 0.88476710 0.40954272 1.0
Cd Cd10 1 0.50006673 0.49990553 0.64285654 1.0
Cd Cd11 1 0.13017986 0.11584197 0.87569024 1.0
Cd Cd12 1 0.84990665 0.88884286 0.55837909 1.0
Cd Cd13 1 0.50004136 0.50005257 0.78569717 1.0
Cd Cd14 1 0.87198227 0.88462038 0.69515836 1.0
Cd Cd15 1 0.49087506 0.49190759 0.93040528 1.0
Cd Cd16 1 0.84898144 0.88675843 0.84479796 1.0
Cd Cd17 1 0.87778803 0.88264377 0.97950175 1.0
Sn Sn18 1 0.01324768 0.49882666 0.07047889 1.0
Sn Sn19 1 0.50055218 0.00979534 0.07059640 1.0
Sn Sn20 1 0.00062067 0.50421857 0.21404233 1.0
Sn Sn21 1 0.49917183 0.49737179 0.07061648 1.0
Sn Sn22 1 0.50017272 0.00309768 0.21395706 1.0
Sn Sn23 1 0.49104692 0.48731767 0.14519992 1.0
Sn Sn24 1 0.47554401 0.50173617 0.28828661 1.0
Sn Sn25 1 -0.00040626 0.49993831 0.50005827 1.0
Sn Sn26 1 0.50004063 -0.00024781 0.50003967 1.0
Sn Sn27 1 0.50092091 0.00059739 0.35691152 1.0
Sn Sn28 1 0.52450455 0.49818191 0.42574179 1.0
Sn Sn29 1 0.47619741 0.50109942 0.57408708 1.0
Sn Sn30 1 -0.00002605 0.49934069 0.78571242 1.0
Sn Sn31 1 0.52365513 0.49915944 0.71165326 1.0
Sn Sn32 1 0.49982259 0.00016523 0.64288220 1.0
Sn Sn33 1 0.50001907 0.00032622 0.78560114 1.0
Sn Sn34 1 0.47844647 0.50169359 0.85970176 1.0
Sn Sn35 1 0.53535781 0.50067518 0.99633104 1.0
Sn Sn36 1 0.49643677 0.00113962 0.92841792 1.0
O O37 1 0.26286435 0.26397124 0.04101347 1.0
O O38 1 0.26795947 0.26244475 0.10066995 1.0
O O39 1 0.26677922 0.69124337 0.04033331 1.0
O O40 1 0.70240242 0.26097267 0.04034906 1.0
O O41 1 0.30093859 0.73020586 0.10430193 1.0
O O42 1 0.25787036 0.26573778 0.18161821 1.0
O O43 1 0.73210434 0.72873083 0.04475425 1.0
O O44 1 0.25309486 0.25205083 0.24320372 1.0
O O45 1 0.25198686 0.70057153 0.17720490 1.0
O O46 1 0.73014775 0.30293915 0.10430960 1.0
O O47 1 0.73271679 0.73018992 0.10475977 1.0
O O48 1 0.70688926 0.24613479 0.17717630 1.0
O O49 1 0.30001305 0.24544035 0.31844016 1.0
O O50 1 0.29204294 0.75806306 0.24818221 1.0
O O51 1 0.29207230 0.23346068 0.38516209 1.0
O O52 1 0.30724297 0.72597734 0.31528012 1.0
O O53 1 0.74357459 0.31507961 0.24827178 1.0
O O54 1 0.74455717 0.75235972 0.18398500 1.0
O O55 1 0.74948842 0.74785365 0.24448476 1.0
O O56 1 0.71575476 0.25027039 0.31902387 1.0
O O57 1 0.28504184 0.75150010 0.39455570 1.0
O O58 1 0.25052810 0.25474205 0.46891905 1.0
O O59 1 0.25832796 0.68949755 0.46473986 1.0
O O60 1 0.25455846 0.25033489 0.52874114 1.0
O O61 1 0.69474158 0.27522846 0.39841686 1.0
O O62 1 0.70942091 0.76861750 0.32820522 1.0
O O63 1 0.70192511 0.75610684 0.39525128 1.0
O O64 1 0.71247762 0.24409098 0.46498869 1.0
O O65 1 0.29895514 0.24397008 0.60451098 1.0
O O66 1 0.28782498 0.75639734 0.53487586 1.0
O O67 1 0.74217642 0.31089693 0.53509594 1.0
O O68 1 0.29154407 0.23355886 0.67109548 1.0
O O69 1 0.30579734 0.72570943 0.60144987 1.0
O O70 1 0.74563356 0.74990106 0.47113609 1.0
O O71 1 0.74983029 0.74562378 0.53092493 1.0
O O72 1 0.71581923 0.24903181 0.60517858 1.0
O O73 1 0.25023355 0.25431078 0.75469910 1.0
O O74 1 0.28418577 0.75100077 0.68054336 1.0
O O75 1 0.25527225 0.25031387 0.81433625 1.0
O O76 1 0.69419886 0.27384388 0.68428090 1.0
O O77 1 0.25764832 0.68919021 0.75062612 1.0
O O78 1 0.70866729 0.76631971 0.61458955 1.0
O O79 1 0.70107637 0.75617298 0.68121348 1.0
O O80 1 0.71236012 0.24367696 0.75076816 1.0
O O81 1 0.29781960 0.24701908 0.88974132 1.0
O O82 1 0.28709649 0.75676988 0.82072990 1.0
O O83 1 0.30287082 0.72434638 0.88769102 1.0
O O84 1 0.74536416 0.74982319 0.75693313 1.0
O O85 1 0.29808405 0.22271682 0.95744624 1.0
O O86 1 0.74265675 0.30970777 0.82073530 1.0
O O87 1 0.71893056 0.24841230 0.89024021 1.0
O O88 1 0.74883198 0.74511407 0.81682303 1.0
O O89 1 0.28545301 0.74260178 0.96797901 1.0
O O90 1 0.70704119 0.26819986 0.97047978 1.0
O O91 1 0.69738757 0.76339651 0.90121606 1.0
O O92 1 0.70611365 0.75504265 0.96615633 1.0