Si
传统材料 TRAMP-ID: mp-1244933 · 空间群: P1 (#1)
基础信息
化学式
Si
MP-ID
mp-1244933
元素数
1
位点数
100
密度
2.6000
g/cm³
体积
1,793.76
ų
晶胞参数 a
12.5398
Å
晶胞参数 b
12.3364
Å
晶胞参数 c
12.5371
Å
α 角
77.16
°
β 角
101.54
°
γ 角
106.47
°
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
0.34929
eV/atom
能量/原子
-8.42447
eV/atom
凸包距离
0.3493
eV/atom
未修正能量
-5.0760
eV/atom
体积/原子
17.94
ų
c/a 比
0.9998
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
0.0000
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
Si · 1.000
元素家族
N/A
溶质分数
0.000
间隙分数
1.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.373
家族
Pure Metal
基质元素
Si · 1.000
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-1244933
参考引用
The crystal structure and related material properties of Si were obtained from the Materials Project database (MP-ID: mp-1244933, 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_Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.53983493
_cell_length_b 12.33642402
_cell_length_c 12.53708731
_cell_angle_alpha 77.15858093
_cell_angle_beta 101.53703375
_cell_angle_gamma 106.47195180
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si
_chemical_formula_sum Si100
_cell_volume 1793.76493767
_cell_formula_units_Z 100
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 0.08752743 0.21920418 0.41840535 1.0
Si Si1 1 0.12374435 0.76088472 0.34543906 1.0
Si Si2 1 0.69802860 0.27198740 0.37719247 1.0
Si Si3 1 0.69986870 0.01795748 0.31896847 1.0
Si Si4 1 0.05178415 0.03241105 0.57617957 1.0
Si Si5 1 0.27033138 0.50255163 0.34158663 1.0
Si Si6 1 0.86658270 0.91392376 0.73405891 1.0
Si Si7 1 0.79875566 0.80552817 0.49695109 1.0
Si Si8 1 0.43063200 0.35797324 0.51809613 1.0
Si Si9 1 0.41173550 0.50529481 0.61677853 1.0
Si Si10 1 0.59264631 0.30021695 0.61675537 1.0
Si Si11 1 0.14628977 0.60777597 0.55928681 1.0
Si Si12 1 0.59743782 0.94699898 0.04497197 1.0
Si Si13 1 0.72115050 0.05831426 0.62190152 1.0
Si Si14 1 0.48897520 0.29466378 0.87711936 1.0
Si Si15 1 0.86662992 0.19844270 0.18845005 1.0
Si Si16 1 0.32767285 0.07470159 0.69527317 1.0
Si Si17 1 0.56513138 0.26786614 0.09229231 1.0
Si Si18 1 0.43436396 0.85717213 0.27059618 1.0
Si Si19 1 0.22787294 0.49342794 0.99244315 1.0
Si Si20 1 0.61023508 0.57510798 0.61646832 1.0
Si Si21 1 0.52982519 0.77533028 0.18154035 1.0
Si Si22 1 0.44856038 0.00335588 0.47994219 1.0
Si Si23 1 0.72661590 0.59242900 0.48129268 1.0
Si Si24 1 0.50673934 0.17320567 0.33362439 1.0
Si Si25 1 0.85287257 0.00729743 0.53338044 1.0
Si Si26 1 0.02268786 0.55747859 0.15249949 1.0
Si Si27 1 0.36105294 0.28122931 0.70430863 1.0
Si Si28 1 0.90991746 0.38475000 0.07373771 1.0
Si Si29 1 0.20192248 0.44672743 0.52196358 1.0
Si Si30 1 0.73899011 0.39377797 0.51330855 1.0
Si Si31 1 0.59735508 0.63035632 0.31911680 1.0
Si Si32 1 0.62811075 0.77479658 0.57413869 1.0
Si Si33 1 0.00654520 0.83421730 0.18724773 1.0
Si Si34 1 0.91978551 0.58752084 0.79483066 1.0
Si Si35 1 0.18894739 0.32489078 0.70936660 1.0
Si Si36 1 0.97162106 0.78406397 0.71224113 1.0
Si Si37 1 0.67793078 0.58778654 0.18643726 1.0
Si Si38 1 0.66377361 0.86225792 0.73064789 1.0
Si Si39 1 0.80548642 0.77315846 0.17072342 1.0
Si Si40 1 0.37444359 0.13773066 0.99500429 1.0
Si Si41 1 0.56017753 0.90584410 0.42843939 1.0
Si Si42 1 0.22958144 0.87919497 0.07210716 1.0
Si Si43 1 0.22418614 0.04595253 0.51696001 1.0
Si Si44 1 0.20971012 0.67340965 0.12356523 1.0
Si Si45 1 0.28071361 0.70293693 0.32321654 1.0
Si Si46 1 0.78247785 0.87288700 0.30443505 1.0
Si Si47 1 0.65575850 0.31622492 0.80592406 1.0
Si Si48 1 0.93764313 0.97173566 0.91331495 1.0
Si Si49 1 0.00375640 0.35720629 0.46293180 1.0
Si Si50 1 0.59292212 0.99851470 0.80842734 1.0
Si Si51 1 0.25113156 0.93711456 0.39728882 1.0
Si Si52 1 0.53227096 0.10175489 0.63192019 1.0
Si Si53 1 0.86672416 0.17891070 0.72768963 1.0
Si Si54 1 0.18756009 0.51215582 0.74641110 1.0
Si Si55 1 0.73158225 0.42041273 0.05406125 1.0
Si Si56 1 0.98420878 0.93317486 0.32745853 1.0
Si Si57 1 0.98221587 0.30833168 0.95456184 1.0
Si Si58 1 0.12667619 0.63432197 0.93333649 1.0
Si Si59 1 0.74185000 0.60332251 0.94059867 1.0
Si Si60 1 0.40052885 0.82221745 0.63574704 1.0
Si Si61 1 0.39908802 0.95537437 0.98628507 1.0
Si Si62 1 0.84270309 0.17812460 0.38730071 1.0
Si Si63 1 0.72234867 0.51947046 0.78404713 1.0
Si Si64 1 0.00014232 0.44190042 0.77915493 1.0
Si Si65 1 0.04800574 0.03468818 0.09770359 1.0
Si Si66 1 0.08237825 0.87078898 0.91479702 1.0
Si Si67 1 0.44254006 0.72758002 0.90340715 1.0
Si Si68 1 0.94858806 0.50883684 0.32413011 1.0
Si Si69 1 0.14195333 0.03574656 0.76410152 1.0
Si Si70 1 0.45272386 0.33736412 0.21235463 1.0
Si Si71 1 0.05813051 0.16722274 0.81203895 1.0
Si Si72 1 0.37756382 0.89932090 0.81141284 1.0
Si Si73 1 0.74596217 0.16216514 0.85815188 1.0
Si Si74 1 0.50209890 0.51313337 0.08204269 1.0
Si Si75 1 0.03489630 0.13141661 0.25322050 1.0
Si Si76 1 0.34628952 0.67378688 0.52190885 1.0
Si Si77 1 0.65974590 0.11195513 0.13435093 1.0
Si Si78 1 0.76235885 0.43434846 0.24418221 1.0
Si Si79 1 0.14022135 0.32255685 0.10337962 1.0
Si Si80 1 0.28470044 0.38026720 0.89647571 1.0
Si Si81 1 0.00676779 0.83303929 0.52057407 1.0
Si Si82 1 0.38497346 0.60861872 0.76310041 1.0
Si Si83 1 0.19522584 0.80010474 0.60093215 1.0
Si Si84 1 0.76354942 0.89696269 0.00377794 1.0
Si Si85 1 0.95381067 0.67122055 0.97272337 1.0
Si Si86 1 0.43921600 0.05582616 0.19143328 1.0
Si Si87 1 0.28114367 0.23565774 0.41535307 1.0
Si Si88 1 0.38504957 0.63683359 0.07981390 1.0
Si Si89 1 0.19231443 0.18863631 0.98517036 1.0
Si Si90 1 0.23886395 0.02260112 0.20120121 1.0
Si Si91 1 0.26880448 0.22175688 0.22316749 1.0
Si Si92 1 0.64285820 0.75010410 0.90935107 1.0
Si Si93 1 0.44533663 0.46714384 0.33608494 1.0
Si Si94 1 0.10444419 0.39115201 0.25444052 1.0
Si Si95 1 0.86969825 0.11537219 0.02220872 1.0
Si Si96 1 0.91029775 0.35981181 0.61515265 1.0
Si Si97 1 0.17299480 0.79279820 0.79173270 1.0
Si Si98 1 0.97801345 0.64118741 0.44907311 1.0
Si Si99 1 0.47996495 0.47837010 0.89918704 1.0