SiC

弹性数据 ELA

MP-ID: mp-582034 · 空间群: P3m1 (#156)

Materials Project API

基础信息

化学式

SiC

MP-ID

mp-582034

元素数

位点数

密度

3.2275

g/cm³

体积

433.22

Å³

晶胞参数 a

3.0770

晶胞参数 b

3.0770

晶胞参数 c

52.8351

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P3m1

点群

晶体系统

Trigonal

布拉维格子

Trigonal P

稳定性

否

堆积分数

0.7400

X 射线衍射

衍射图谱

靶材 / 辐射源

横轴为 2θ (°)，纵轴为相对强度，CuKa ， λ=1.5406 Å

衍射峰（Top 24）

2θ	d (Å)	I	hkl
33.81	2.6513	1.1	(1,-1,0,2)
34.03	2.6348	17.8	(1,0,-1,3)
34.03	2.6348	8.9	(1,-1,0,3)
34.33	2.6121	13.6	(1,0,-1,4)
34.33	2.6121	27.1	(1,-1,0,4)
34.72	2.5839	2.2	(1,0,-1,5)
34.72	2.5839	4.4	(1,-1,0,5)
35.19	2.5505	1.2	(1,0,-1,6)
35.19	2.5505	2.4	(1,-1,0,6)
35.69	2.5160	98.7	(0,0,0,21)
35.73	2.5128	50.0	(1,0,-1,7)
35.73	2.5128	100.0	(1,-1,0,7)
36.36	2.4712	1.2	(1,0,-1,8)
36.36	2.4712	2.3	(1,-1,0,8)
37.05	2.4265	4.2	(1,0,-1,9)
37.05	2.4265	2.1	(1,-1,0,9)
37.81	2.3793	13.6	(1,0,-1,10)
37.81	2.3793	27.2	(1,-1,0,10)
38.64	2.3302	10.6	(1,0,-1,11)
38.64	2.3302	21.3	(1,-1,0,11)
39.53	2.2797	1.0	(1,0,-1,12)
39.53	2.2797	2.1	(1,-1,0,12)
41.48	2.1768	12.0	(1,0,-1,14)
41.48	2.1768	24.0	(1,-1,0,14)

获取直接链接

能量属性

形成能/原子

-0.30592

eV/atom

能量/原子

-9.66642

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-9.6664

eV/atom

体积/原子

10.31

Å³

c/a 比

17.1710

电子属性

金属性

非金属

带隙

1.689

直接带隙

否

导带底 CBM

N/A

磁性属性

磁性

是

总磁矩

0.0000

μB

磁有序

Unknown

磁性位点数

磁化强度/体积

0.000000

μB/Å³

弹性属性

体积模量 K_VRH

213.198

GPa

剪切模量 G_VRH

187.685

GPa

杨氏模量 E

435.315

GPa

泊松比 ν

0.160

Pugh 比 K/G

1.136

维氏硬度估算

33.832

GPa

韧性

Ductile

各向异性

0.121

拉梅 λ

88.075

GPa

特征分析

组成概览

元素组成（原子分数）

组成信息

主元 / 基质元素

Si · 0.500

元素家族

Metalloid-Nonmetal

溶质分数

0.500

间隙分数

1.000

弹性数据特征

弹性模量对比 (GPa)

弹性特征

弹性各向异性 A^U

0.1210

均匀泊松比 ν

0.1600

Debye 温度

1,146.3

声速

8,383.7

m/s

均匀度

0.1600

关联任务

关联的计算任务 ID（2 个）

aaaduncv aaaekwfk

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-582034

参考引用

The crystal structure and related material properties of SiC were obtained from the Materials Project database (MP-ID: mp-582034, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

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_SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07699899
_cell_length_b   3.07699814
_cell_length_c   52.83511290
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiC
_chemical_formula_sum   'Si21 C21'
_cell_volume   433.21941502
_cell_formula_units_Z   21
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
  Si  Si0  1  0.66666700  0.33333300  0.47619269  1.0
  Si  Si1  1  0.66666700  0.33333300  0.19047420  1.0
  Si  Si2  1  0.33333300  0.66666700  0.61906628  1.0
  Si  Si3  1  0.66666700  0.33333300  0.09519542  1.0
  Si  Si4  1  0.33333300  0.66666700  0.76188325  1.0
  Si  Si5  1  0.66666700  0.33333300  0.90478046  1.0
  Si  Si6  1  -0.00000000  -0.00000000  0.71426867  1.0
  Si  Si7  1  -0.00000000  -0.00000000  0.28571807  1.0
  Si  Si8  1  0.33333300  0.66666700  0.95234483  1.0
  Si  Si9  1  0.33333300  0.66666700  0.52375160  1.0
  Si  Si10  1  0.00000000  0.00000000  0.14284073  1.0
  Si  Si11  1  0.33333300  0.66666700  0.23805511  1.0
  Si  Si12  1  0.00000000  0.00000000  0.99999108  1.0
  Si  Si13  1  -0.00000000  -0.00000000  0.42856314  1.0
  Si  Si14  1  0.33333300  0.66666700  0.33335458  1.0
  Si  Si15  1  0.33333300  0.66666700  0.04762735  1.0
  Si  Si16  1  0.66666700  0.33333300  0.80947546  1.0
  Si  Si17  1  0.66666700  0.33333300  0.66666373  1.0
  Si  Si18  1  -0.00000000  -0.00000000  0.57141810  1.0
  Si  Si19  1  0.66666700  0.33333300  0.38092187  1.0
  Si  Si20  1  -0.00000000  -0.00000000  0.85713670  1.0
  C  C21  1  0.33333300  0.66666700  0.27376332  1.0
  C  C22  1  0.66666700  0.33333300  0.70240139  1.0
  C  C23  1  0.66666700  0.33333300  0.94048628  1.0
  C  C24  1  0.33333300  0.66666700  0.65478991  1.0
  C  C25  1  0.33333300  0.66666700  0.79761571  1.0
  C  C26  1  -0.00000000  0.00000000  0.32152746  1.0
  C  C27  1  0.33333300  0.66666700  0.08333141  1.0
  C  C28  1  -0.00000000  0.00000000  0.60724065  1.0
  C  C29  1  -0.00000000  -0.00000000  0.03579755  1.0
  C  C30  1  0.66666700  0.33333300  0.22618657  1.0
  C  C31  1  0.00000000  -0.00000000  0.17864565  1.0
  C  C32  1  0.66666700  0.33333300  0.51189161  1.0
  C  C33  1  0.00000000  -0.00000000  0.89295228  1.0
  C  C34  1  0.00000000  -0.00000000  0.46436978  1.0
  C  C35  1  0.33333300  0.66666700  0.55946168  1.0
  C  C36  1  0.33333300  0.66666700  0.98804193  1.0
  C  C37  1  0.66666700  0.33333300  0.84518824  1.0
  C  C38  1  0.33333300  0.66666700  0.36905847  1.0
  C  C39  1  0.66666700  0.33333300  0.13089271  1.0
  C  C40  1  0.66666700  0.33333300  0.41661996  1.0
  C  C41  1  -0.00000000  0.00000000  0.75001210  1.0

获取直接链接