B
传统材料 TRAMP-ID: mp-541848 · 空间群: R-3m (#166)
基础信息
化学式
B
MP-ID
mp-541848
元素数
1
位点数
108
密度
2.0939
g/cm³
体积
925.96
ų
晶胞参数 a
11.5607
Å
晶胞参数 b
11.5607
Å
晶胞参数 c
11.5607
Å
α 角
53.48
°
β 角
53.48
°
γ 角
53.48
°
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
0.70907
eV/atom
能量/原子
-6.63728
eV/atom
凸包距离
0.7091
eV/atom
未修正能量
-5.9703
eV/atom
体积/原子
8.57
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
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
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
0.373
家族
Pure Metal
基质元素
B · 1.000
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-541848
参考引用
The crystal structure and related material properties of B were obtained from the Materials Project database (MP-ID: mp-541848, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.56067157
_cell_length_b 11.56067191
_cell_length_c 11.56067117
_cell_angle_alpha 53.48443029
_cell_angle_beta 53.48443079
_cell_angle_gamma 53.48442760
_symmetry_Int_Tables_number 1
_chemical_formula_structural B
_chemical_formula_sum B108
_cell_volume 925.95576800
_cell_formula_units_Z 108
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 0.97522579 0.29588624 0.13261054 1.0
B B1 1 0.13261054 0.97522579 0.29588624 1.0
B B2 1 0.29588624 0.13261054 0.97522579 1.0
B B3 1 0.70411376 0.02477421 0.86738946 1.0
B B4 1 0.86738946 0.70411376 0.02477421 1.0
B B5 1 0.02477421 0.86738946 0.70411376 1.0
B B6 1 0.02477421 0.70411376 0.86738946 1.0
B B7 1 0.86738946 0.02477421 0.70411376 1.0
B B8 1 0.70411376 0.86738946 0.02477421 1.0
B B9 1 0.29588624 0.97522579 0.13261054 1.0
B B10 1 0.13261054 0.29588624 0.97522579 1.0
B B11 1 0.97522579 0.13261054 0.29588624 1.0
B B12 1 0.64212020 0.47500132 0.93966140 1.0
B B13 1 0.93966140 0.64212020 0.47500132 1.0
B B14 1 0.47500132 0.93966140 0.64212020 1.0
B B15 1 0.52499868 0.35787980 0.06033860 1.0
B B16 1 0.06033860 0.52499868 0.35787980 1.0
B B17 1 0.35787980 0.06033860 0.52499868 1.0
B B18 1 0.35787980 0.52499868 0.06033860 1.0
B B19 1 0.06033860 0.35787980 0.52499868 1.0
B B20 1 0.52499868 0.06033860 0.35787980 1.0
B B21 1 0.47500132 0.64212020 0.93966140 1.0
B B22 1 0.93966140 0.47500132 0.64212020 1.0
B B23 1 0.64212020 0.93966140 0.47500132 1.0
B B24 1 0.79328757 0.32361956 0.05499702 1.0
B B25 1 0.05499702 0.79328757 0.32361956 1.0
B B26 1 0.32361956 0.05499702 0.79328757 1.0
B B27 1 0.67638044 0.20671243 0.94500298 1.0
B B28 1 0.94500298 0.67638044 0.20671243 1.0
B B29 1 0.20671243 0.94500298 0.67638044 1.0
B B30 1 0.20671243 0.67638044 0.94500298 1.0
B B31 1 0.94500298 0.20671243 0.67638044 1.0
B B32 1 0.67638044 0.94500298 0.20671243 1.0
B B33 1 0.32361956 0.79328757 0.05499702 1.0
B B34 1 0.05499702 0.32361956 0.79328757 1.0
B B35 1 0.79328757 0.05499702 0.32361956 1.0
B B36 1 0.69521098 0.46336472 0.25508214 1.0
B B37 1 0.25508214 0.69521098 0.46336472 1.0
B B38 1 0.46336472 0.25508214 0.69521098 1.0
B B39 1 0.53663528 0.30478902 0.74491786 1.0
B B40 1 0.74491786 0.53663528 0.30478902 1.0
B B41 1 0.30478902 0.74491786 0.53663528 1.0
B B42 1 0.30478902 0.53663528 0.74491786 1.0
B B43 1 0.74491786 0.30478902 0.53663528 1.0
B B44 1 0.53663528 0.74491786 0.30478902 1.0
B B45 1 0.46336472 0.69521098 0.25508214 1.0
B B46 1 0.25508214 0.46336472 0.69521098 1.0
B B47 1 0.69521098 0.25508214 0.46336472 1.0
B B48 1 0.04628718 0.63622041 0.04628718 1.0
B B49 1 0.04628718 0.04628718 0.63622041 1.0
B B50 1 0.63622041 0.04628718 0.04628718 1.0
B B51 1 0.36377959 0.95371282 0.95371282 1.0
B B52 1 0.95371282 0.36377959 0.95371282 1.0
B B53 1 0.95371282 0.95371282 0.36377959 1.0
B B54 1 0.23624049 0.68868115 0.23624049 1.0
B B55 1 0.23624049 0.23624049 0.68868115 1.0
B B56 1 0.68868115 0.23624049 0.23624049 1.0
B B57 1 0.31131885 0.76375951 0.76375951 1.0
B B58 1 0.76375951 0.31131885 0.76375951 1.0
B B59 1 0.76375951 0.76375951 0.31131885 1.0
B B60 1 0.66398618 0.49689163 0.66398618 1.0
B B61 1 0.66398618 0.66398618 0.49689163 1.0
B B62 1 0.49689163 0.66398618 0.66398618 1.0
B B63 1 0.50310837 0.33601382 0.33601382 1.0
B B64 1 0.33601382 0.50310837 0.33601382 1.0
B B65 1 0.33601382 0.33601382 0.50310837 1.0
B B66 1 0.46315450 0.77645549 0.46315450 1.0
B B67 1 0.46315450 0.46315450 0.77645549 1.0
B B68 1 0.77645549 0.46315450 0.46315450 1.0
B B69 1 0.22354451 0.53684550 0.53684550 1.0
B B70 1 0.53684550 0.22354451 0.53684550 1.0
B B71 1 0.53684550 0.53684550 0.22354451 1.0
B B72 1 0.11954607 0.82897319 0.11954607 1.0
B B73 1 0.11954607 0.11954607 0.82897319 1.0
B B74 1 0.82897319 0.11954607 0.11954607 1.0
B B75 1 0.17102681 0.88045393 0.88045393 1.0
B B76 1 0.88045393 0.17102681 0.88045393 1.0
B B77 1 0.88045393 0.88045393 0.17102681 1.0
B B78 1 0.32138696 0.84783785 0.32138696 1.0
B B79 1 0.32138696 0.32138696 0.84783785 1.0
B B80 1 0.84783785 0.32138696 0.32138696 1.0
B B81 1 0.15216215 0.67861304 0.67861304 1.0
B B82 1 0.67861304 0.15216215 0.67861304 1.0
B B83 1 0.67861304 0.67861304 0.15216215 1.0
B B84 1 0.84704913 0.43641096 0.84704913 1.0
B B85 1 0.84704913 0.84704913 0.43641096 1.0
B B86 1 0.43641096 0.84704913 0.84704913 1.0
B B87 1 0.56358904 0.15295087 0.15295087 1.0
B B88 1 0.15295087 0.56358904 0.15295087 1.0
B B89 1 0.15295087 0.15295087 0.56358904 1.0
B B90 1 0.25626621 0.80445053 0.25626621 1.0
B B91 1 0.25626621 0.25626621 0.80445053 1.0
B B92 1 0.80445053 0.25626621 0.25626621 1.0
B B93 1 0.19554947 0.74373379 0.74373379 1.0
B B94 1 0.74373379 0.19554947 0.74373379 1.0
B B95 1 0.74373379 0.74373379 0.19554947 1.0
B B96 1 0.50049375 0.88844738 0.50049375 1.0
B B97 1 0.50049375 0.50049375 0.88844738 1.0
B B98 1 0.88844738 0.50049375 0.50049375 1.0
B B99 1 0.11155262 0.49950625 0.49950625 1.0
B B100 1 0.49950625 0.11155262 0.49950625 1.0
B B101 1 0.49950625 0.49950625 0.11155262 1.0
B B102 1 0.94541099 0.21697565 0.94541099 1.0
B B103 1 0.94541099 0.94541099 0.21697565 1.0
B B104 1 0.21697565 0.94541099 0.94541099 1.0
B B105 1 0.78302435 0.05458901 0.05458901 1.0
B B106 1 0.05458901 0.78302435 0.05458901 1.0
B B107 1 0.05458901 0.05458901 0.78302435 1.0