B
传统材料 TRAMP-ID: mp-161 · 空间群: R-3m (#166)
基础信息
化学式
B
MP-ID
mp-161
元素数
1
位点数
105
密度
2.3224
g/cm³
体积
811.63
ų
晶胞参数 a
10.0898
Å
晶胞参数 b
10.0898
Å
晶胞参数 c
10.0898
Å
α 角
65.40
°
β 角
65.40
°
γ 角
65.40
°
空间群
R-3m
点群
-3m
晶体系统
Trigonal
Bravais 格子
hR
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.01975
eV/atom
能量/原子
-7.32661
eV/atom
凸包距离
0.0198
eV/atom
未修正能量
-7.3266
eV/atom
体积/原子
7.73
ų
c/a 比
1.0000
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
0.0000
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.000000
μB/ų
弹性属性
KVRH
333.205
GPa
GVRH
0.003
GPa
杨氏模量 E
-
GPa
泊松比 ν
-
Pugh 比 K/G
112,569.257
柯西压力
-
GPa
维氏硬度估算
-
GPa
韧性
Brittle
各向异性
116,215.001
Grüneisen 参数
-
拉梅 λ
333.203
GPa
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
B · 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
0.560
家族
Pure Metal
基质元素
B · 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-161
参考引用
The crystal structure and related material properties of B were obtained from the Materials Project database (MP-ID: mp-161, 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_B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.08982112
_cell_length_b 10.08982478
_cell_length_c 10.08982502
_cell_angle_alpha 65.39704281
_cell_angle_beta 65.39708834
_cell_angle_gamma 65.39706952
_symmetry_Int_Tables_number 1
_chemical_formula_structural B
_chemical_formula_sum B105
_cell_volume 811.63431082
_cell_formula_units_Z 105
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
B B0 1 0.00285368 0.16311934 0.00285468 1.0
B B1 1 0.00285368 0.00285468 0.16311934 1.0
B B2 1 0.16311734 0.00285468 0.00285468 1.0
B B3 1 0.83688266 0.99714532 0.99714532 1.0
B B4 1 0.99714632 0.83688066 0.99714532 1.0
B B5 1 0.99714632 0.99714532 0.83688066 1.0
B B6 1 0.10006616 0.84087079 0.10006716 1.0
B B7 1 0.10006616 0.10006716 0.84087079 1.0
B B8 1 0.84087179 0.10006616 0.10006616 1.0
B B9 1 0.15912821 0.89993384 0.89993384 1.0
B B10 1 0.89993384 0.15912921 0.89993284 1.0
B B11 1 0.89993384 0.89993284 0.15912921 1.0
B B12 1 0.99553840 0.66231468 0.99553740 1.0
B B13 1 0.99553840 0.99553740 0.66231468 1.0
B B14 1 0.66231468 0.99553740 0.99553740 1.0
B B15 1 0.33768532 0.00446260 0.00446260 1.0
B B16 1 0.00446160 0.33768532 0.00446260 1.0
B B17 1 0.00446160 0.00446260 0.33768532 1.0
B B18 1 0.10400861 0.49047598 0.10400861 1.0
B B19 1 0.10400861 0.10400861 0.49047598 1.0
B B20 1 0.49047598 0.10400861 0.10400861 1.0
B B21 1 0.50952402 0.89599139 0.89599139 1.0
B B22 1 0.89599139 0.50952402 0.89599139 1.0
B B23 1 0.89599139 0.89599139 0.50952402 1.0
B B24 1 0.34784772 0.00387909 0.17617542 1.0
B B25 1 0.17617342 0.34784872 0.00388009 1.0
B B26 1 0.00387909 0.17617342 0.34784972 1.0
B B27 1 0.99612091 0.65215028 0.82382658 1.0
B B28 1 0.82382658 0.99611991 0.65215128 1.0
B B29 1 0.65215228 0.82382458 0.99612091 1.0
B B30 1 0.65215228 0.99612091 0.82382458 1.0
B B31 1 0.82382658 0.65215128 0.99611991 1.0
B B32 1 0.99612091 0.82382658 0.65215028 1.0
B B33 1 0.00387909 0.34784972 0.17617342 1.0
B B34 1 0.17617342 0.00388009 0.34784872 1.0
B B35 1 0.34784772 0.17617542 0.00387909 1.0
B B36 1 0.55106540 0.89493514 0.16598748 1.0
B B37 1 0.16598748 0.55106540 0.89493614 1.0
B B38 1 0.89493514 0.16598748 0.55106540 1.0
B B39 1 0.10506486 0.44893460 0.83401252 1.0
B B40 1 0.83401252 0.10506386 0.44893460 1.0
B B41 1 0.44893460 0.83401252 0.10506486 1.0
B B42 1 0.44893460 0.10506486 0.83401252 1.0
B B43 1 0.83401252 0.44893460 0.10506386 1.0
B B44 1 0.10506486 0.83401252 0.44893460 1.0
B B45 1 0.89493514 0.55106540 0.16598748 1.0
B B46 1 0.16598748 0.89493614 0.55106540 1.0
B B47 1 0.55106540 0.16598748 0.89493514 1.0
B B48 1 0.19898408 0.68653831 0.19898308 1.0
B B49 1 0.19898408 0.19898308 0.68653831 1.0
B B50 1 0.68653931 0.19898308 0.19898308 1.0
B B51 1 0.31346069 0.80101692 0.80101692 1.0
B B52 1 0.80101592 0.31346169 0.80101692 1.0
B B53 1 0.80101592 0.80101692 0.31346169 1.0
B B54 1 0.68401806 0.20036544 0.37589705 1.0
B B55 1 0.37589805 0.68401606 0.20036544 1.0
B B56 1 0.20036544 0.37589805 0.68401706 1.0
B B57 1 0.79963456 0.31598294 0.62410195 1.0
B B58 1 0.62410195 0.79963456 0.31598394 1.0
B B59 1 0.31598194 0.62410295 0.79963456 1.0
B B60 1 0.31598194 0.79963456 0.62410295 1.0
B B61 1 0.62410195 0.31598394 0.79963456 1.0
B B62 1 0.79963456 0.62410195 0.31598294 1.0
B B63 1 0.20036544 0.68401706 0.37589805 1.0
B B64 1 0.37589805 0.20036544 0.68401606 1.0
B B65 1 0.68401806 0.37589705 0.20036544 1.0
B B66 1 0.58019891 0.09595670 0.36350030 1.0
B B67 1 0.36350130 0.58019891 0.09595570 1.0
B B68 1 0.09595670 0.36350030 0.58019891 1.0
B B69 1 0.90404330 0.41980109 0.63649970 1.0
B B70 1 0.63649870 0.90404430 0.41980109 1.0
B B71 1 0.41980109 0.63649970 0.90404330 1.0
B B72 1 0.41980109 0.90404330 0.63649970 1.0
B B73 1 0.63649870 0.41980109 0.90404430 1.0
B B74 1 0.90404330 0.63649970 0.41980109 1.0
B B75 1 0.09595670 0.58019891 0.36350030 1.0
B B76 1 0.36350130 0.09595570 0.58019891 1.0
B B77 1 0.58019891 0.36350030 0.09595670 1.0
B B78 1 0.19914099 0.50556512 0.19914099 1.0
B B79 1 0.19914099 0.19914099 0.50556512 1.0
B B80 1 0.50556412 0.19914099 0.19914099 1.0
B B81 1 0.49443588 0.80085901 0.80085901 1.0
B B82 1 0.80085901 0.49443488 0.80085901 1.0
B B83 1 0.80085901 0.80085901 0.49443488 1.0
B B84 1 0.38473687 0.56737535 0.38473587 1.0
B B85 1 0.38473687 0.38473587 0.56737535 1.0
B B86 1 0.56737635 0.38473587 0.38473587 1.0
B B87 1 0.43262365 0.61526413 0.61526413 1.0
B B88 1 0.61526313 0.43262465 0.61526413 1.0
B B89 1 0.61526313 0.61526413 0.43262465 1.0
B B90 1 0.48923735 0.22112897 0.48923635 1.0
B B91 1 0.48923735 0.48923635 0.22112897 1.0
B B92 1 0.22112897 0.48923635 0.48923635 1.0
B B93 1 0.77887103 0.51076365 0.51076365 1.0
B B94 1 0.51076265 0.77887103 0.51076365 1.0
B B95 1 0.51076265 0.51076365 0.77887103 1.0
B B96 1 0.38137709 0.21367680 0.38137709 1.0
B B97 1 0.38137709 0.38137709 0.21367680 1.0
B B98 1 0.21367680 0.38137709 0.38137709 1.0
B B99 1 0.78632320 0.61862291 0.61862291 1.0
B B100 1 0.61862291 0.78632320 0.61862291 1.0
B B101 1 0.61862291 0.61862291 0.78632320 1.0
B B102 1 0.38475557 0.38475557 0.38475557 1.0
B B103 1 0.61524443 0.61524443 0.61524443 1.0
B B104 1 0.50000000 0.50000000 0.50000000 1.0