V2(B24C)3
传统材料 TRAMP-ID: mp-1217011 · 空间群: P222 (#16)
基础信息
化学式
V2(B24C)3
MP-ID
mp-1217011
元素数
3
位点数
154
密度
2.6362
g/cm³
体积
1,154.36
ų
晶胞参数 a
5.0267
Å
晶胞参数 b
8.7511
Å
晶胞参数 c
26.2423
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P222
点群
222
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.06369
eV/atom
能量/原子
-7.68653
eV/atom
凸包距离
0.0233
eV/atom
未修正能量
-6.8963
eV/atom
体积/原子
7.50
ų
c/a 比
5.2206
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
0.0240
μB
磁有序
FM
磁性位点数
1
磁化强度/体积
0.000020
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 · 0.935
元素家族
N/A
溶质分数
0.065
间隙分数
0.974
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.660
家族
Interstitial Alloy
基质元素
B · 0.935
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-1217011
参考引用
The crystal structure and related material properties of V2(B24C)3 were obtained from the Materials Project database (MP-ID: mp-1217011, 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_V2(B24C)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02664800
_cell_length_b 8.75108900
_cell_length_c 26.24232200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2(B24C)3
_chemical_formula_sum 'V4 B144 C6'
_cell_volume 1154.36416071
_cell_formula_units_Z 2
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
V V0 1 0.50000000 0.50000000 0.16784700 1.0
V V1 1 0.50000000 0.50000000 0.50000000 1.0
V V2 1 0.50000000 0.50000000 0.83215300 1.0
V V3 1 0.00000000 0.00000000 0.00000000 1.0
B B4 1 0.41061500 0.41548500 0.08828900 1.0
B B5 1 0.41237500 0.41541400 0.42187700 1.0
B B6 1 0.41191900 0.41526300 0.75520600 1.0
B B7 1 0.41191900 0.58473700 0.24479400 1.0
B B8 1 0.41237500 0.58458600 0.57812300 1.0
B B9 1 0.41061500 0.58451500 0.91171100 1.0
B B10 1 0.08977500 0.91962200 0.25640900 1.0
B B11 1 0.08816300 0.91999100 0.58984800 1.0
B B12 1 0.08939900 0.91535800 0.92166200 1.0
B B13 1 0.08939900 0.08464200 0.07833800 1.0
B B14 1 0.08816300 0.08000900 0.41015200 1.0
B B15 1 0.08977500 0.08037800 0.74359100 1.0
B B16 1 0.58938500 0.58451500 0.08828900 1.0
B B17 1 0.58762500 0.58458600 0.42187700 1.0
B B18 1 0.58808100 0.58473700 0.75520600 1.0
B B19 1 0.58808100 0.41526300 0.24479400 1.0
B B20 1 0.58762500 0.41541400 0.57812300 1.0
B B21 1 0.58938500 0.41548500 0.91171100 1.0
B B22 1 0.91022500 0.08037800 0.25640900 1.0
B B23 1 0.91183700 0.08000900 0.58984800 1.0
B B24 1 0.91060100 0.08464200 0.92166200 1.0
B B25 1 0.91060100 0.91535800 0.07833800 1.0
B B26 1 0.91183700 0.91999100 0.41015200 1.0
B B27 1 0.91022500 0.91962200 0.74359100 1.0
B B28 1 0.59021500 0.73455300 0.13835000 1.0
B B29 1 0.58759900 0.73438700 0.47180400 1.0
B B30 1 0.58717200 0.73470400 0.80526000 1.0
B B31 1 0.58717200 0.26529600 0.19474000 1.0
B B32 1 0.58759900 0.26561300 0.52819600 1.0
B B33 1 0.59021500 0.26544700 0.86165000 1.0
B B34 1 0.91052400 0.23032500 0.30642800 1.0
B B35 1 0.91163000 0.23090000 0.64001300 1.0
B B36 1 0.91054300 0.23482500 0.97186000 1.0
B B37 1 0.91054300 0.76517500 0.02814000 1.0
B B38 1 0.91163000 0.76910000 0.35998700 1.0
B B39 1 0.91052400 0.76967500 0.69357200 1.0
B B40 1 0.40978500 0.26544700 0.13835000 1.0
B B41 1 0.41240100 0.26561300 0.47180400 1.0
B B42 1 0.41282800 0.26529600 0.80526000 1.0
B B43 1 0.41282800 0.73470400 0.19474000 1.0
B B44 1 0.41240100 0.73438700 0.52819600 1.0
B B45 1 0.40978500 0.73455300 0.86165000 1.0
B B46 1 0.08947600 0.76967500 0.30642800 1.0
B B47 1 0.08837000 0.76910000 0.64001300 1.0
B B48 1 0.08945700 0.76517500 0.97186000 1.0
B B49 1 0.08945700 0.23482500 0.02814000 1.0
B B50 1 0.08837000 0.23090000 0.35998700 1.0
B B51 1 0.08947600 0.23032500 0.69357200 1.0
B B52 1 0.12279800 0.37740100 0.12568100 1.0
B B53 1 0.12531900 0.37771000 0.45921100 1.0
B B54 1 0.12569500 0.37760300 0.79265200 1.0
B B55 1 0.12569500 0.62239700 0.20734800 1.0
B B56 1 0.12531900 0.62229000 0.54078900 1.0
B B57 1 0.12279800 0.62259900 0.87431900 1.0
B B58 1 0.38485700 0.87665300 0.29210200 1.0
B B59 1 0.38529200 0.87641400 0.62563300 1.0
B B60 1 0.37715300 0.87733500 0.95912100 1.0
B B61 1 0.37715300 0.12266500 0.04087900 1.0
B B62 1 0.38529200 0.12358600 0.37436700 1.0
B B63 1 0.38485700 0.12334700 0.70789800 1.0
B B64 1 0.87720200 0.62259900 0.12568100 1.0
B B65 1 0.87468100 0.62229000 0.45921100 1.0
B B66 1 0.87430500 0.62239700 0.79265200 1.0
B B67 1 0.87430500 0.37760300 0.20734800 1.0
B B68 1 0.87468100 0.37771000 0.54078900 1.0
B B69 1 0.87720200 0.37740100 0.87431900 1.0
B B70 1 0.61514300 0.12334700 0.29210200 1.0
B B71 1 0.61470800 0.12358600 0.62563300 1.0
B B72 1 0.62284700 0.12266500 0.95912100 1.0
B B73 1 0.62284700 0.87733500 0.04087900 1.0
B B74 1 0.61470800 0.87641400 0.37436700 1.0
B B75 1 0.61514300 0.87665300 0.70789800 1.0
B B76 1 0.91711700 0.25670600 0.08551400 1.0
B B77 1 0.92221900 0.25376300 0.41794400 1.0
B B78 1 0.92102500 0.25316000 0.75114300 1.0
B B79 1 0.92102500 0.74684000 0.24885700 1.0
B B80 1 0.92221900 0.74623700 0.58205600 1.0
B B81 1 0.91711700 0.74329400 0.91448600 1.0
B B82 1 0.58327300 0.75790700 0.25248400 1.0
B B83 1 0.58202400 0.75793900 0.58604000 1.0
B B84 1 0.58288600 0.75626600 0.91891400 1.0
B B85 1 0.58288600 0.24373400 0.08108600 1.0
B B86 1 0.58202400 0.24206100 0.41396000 1.0
B B87 1 0.58327300 0.24209300 0.74751600 1.0
B B88 1 0.08288300 0.74329400 0.08551400 1.0
B B89 1 0.07778100 0.74623700 0.41794400 1.0
B B90 1 0.07897500 0.74684000 0.75114300 1.0
B B91 1 0.07897500 0.25316000 0.24885700 1.0
B B92 1 0.07778100 0.25376300 0.58205600 1.0
B B93 1 0.08288300 0.25670600 0.91448600 1.0
B B94 1 0.41672700 0.24209300 0.25248400 1.0
B B95 1 0.41797600 0.24206100 0.58604000 1.0
B B96 1 0.41711400 0.24373400 0.91891400 1.0
B B97 1 0.41711400 0.75626600 0.08108600 1.0
B B98 1 0.41797600 0.75793900 0.41396000 1.0
B B99 1 0.41672700 0.75790700 0.74751600 1.0
B B100 1 0.09531300 0.41677600 0.05771300 1.0
B B101 1 0.09714100 0.41531000 0.39108900 1.0
B B102 1 0.09643700 0.41517700 0.72447600 1.0
B B103 1 0.09643700 0.58482300 0.27552400 1.0
B B104 1 0.09714100 0.58469000 0.60891100 1.0
B B105 1 0.09531300 0.58322400 0.94228700 1.0
B B106 1 0.40311700 0.91657900 0.22424200 1.0
B B107 1 0.40325700 0.91605200 0.55771000 1.0
B B108 1 0.40457400 0.91653300 0.89110600 1.0
B B109 1 0.40457400 0.08346700 0.10889400 1.0
B B110 1 0.40325700 0.08394800 0.44229000 1.0
B B111 1 0.40311700 0.08342100 0.77575800 1.0
B B112 1 0.90468700 0.58322400 0.05771300 1.0
B B113 1 0.90285900 0.58469000 0.39108900 1.0
B B114 1 0.90356300 0.58482300 0.72447600 1.0
B B115 1 0.90356300 0.41517700 0.27552400 1.0
B B116 1 0.90285900 0.41531000 0.60891100 1.0
B B117 1 0.90468700 0.41677600 0.94228700 1.0
B B118 1 0.59688300 0.08342100 0.22424200 1.0
B B119 1 0.59674300 0.08394800 0.55771000 1.0
B B120 1 0.59542600 0.08346700 0.89110600 1.0
B B121 1 0.59542600 0.91653300 0.10889400 1.0
B B122 1 0.59674300 0.91605200 0.44229000 1.0
B B123 1 0.59688300 0.91657900 0.77575800 1.0
B B124 1 0.90685700 0.82561900 0.13915000 1.0
B B125 1 0.90297100 0.82659500 0.47173400 1.0
B B126 1 0.90146500 0.82762400 0.80497200 1.0
B B127 1 0.90146500 0.17237600 0.19502800 1.0
B B128 1 0.90297100 0.17340500 0.52826600 1.0
B B129 1 0.90685700 0.17438100 0.86085000 1.0
B B130 1 0.59645600 0.32676100 0.30552400 1.0
B B131 1 0.59732500 0.32726900 0.63876900 1.0
B B132 1 0.59516700 0.32623900 0.97219700 1.0
B B133 1 0.59516700 0.67376100 0.02780300 1.0
B B134 1 0.59732500 0.67273100 0.36123100 1.0
B B135 1 0.59645600 0.67323900 0.69447600 1.0
B B136 1 0.09314300 0.17438100 0.13915000 1.0
B B137 1 0.09702900 0.17340500 0.47173400 1.0
B B138 1 0.09853500 0.17237600 0.80497200 1.0
B B139 1 0.09853500 0.82762400 0.19502800 1.0
B B140 1 0.09702900 0.82659500 0.52826600 1.0
B B141 1 0.09314300 0.82561900 0.86085000 1.0
B B142 1 0.40354400 0.67323900 0.30552400 1.0
B B143 1 0.40267500 0.67273100 0.63876900 1.0
B B144 1 0.40483300 0.67376100 0.97219700 1.0
B B145 1 0.40483300 0.32623900 0.02780300 1.0
B B146 1 0.40267500 0.32726900 0.36123100 1.0
B B147 1 0.40354400 0.32676100 0.69447600 1.0
C C148 1 0.00000000 0.50000000 0.16654100 1.0
C C149 1 0.00000000 0.50000000 0.50000000 1.0
C C150 1 0.00000000 0.50000000 0.83345900 1.0
C C151 1 0.50000000 0.00000000 0.00000000 1.0
C C152 1 0.50000000 0.00000000 0.33331100 1.0
C C153 1 0.50000000 0.00000000 0.66668900 1.0