B84O11
传统材料 TRAMP-ID: mp-851576 · 空间群: P1 (#1)
基础信息
化学式
B84O11
MP-ID
mp-851576
元素数
2
位点数
95
密度
2.5493
g/cm³
体积
706.18
ų
晶胞参数 a
11.8069
Å
晶胞参数 b
7.3957
Å
晶胞参数 c
8.7998
Å
α 角
112.22
°
β 角
95.81
°
γ 角
91.22
°
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
2.58712
eV/atom
能量/原子
-3.89180
eV/atom
凸包距离
3.2398
eV/atom
未修正能量
-3.8122
eV/atom
体积/原子
7.43
ų
c/a 比
0.7453
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
0.0166
μB
磁有序
NM
磁性位点数
0
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 · 0.884
元素家族
N/A
溶质分数
0.116
间隙分数
0.884
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.414
家族
Binary Alloy
基质元素
B · 0.884
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-851576
参考引用
The crystal structure and related material properties of B84O11 were obtained from the Materials Project database (MP-ID: mp-851576, 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_B84O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.80692300
_cell_length_b 7.39569947
_cell_length_c 8.79982250
_cell_angle_alpha 112.22429880
_cell_angle_beta 95.81374708
_cell_angle_gamma 91.22252728
_symmetry_Int_Tables_number 1
_chemical_formula_structural B84O11
_chemical_formula_sum 'B84 O11'
_cell_volume 706.17533229
_cell_formula_units_Z 1
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 0.85252800 0.95089400 0.09090400 1.0
B B1 1 0.56767200 0.98980900 0.22550000 1.0
B B2 1 0.72899700 0.94929200 0.43045100 1.0
B B3 1 0.83728800 0.89858600 0.84817500 1.0
B B4 1 0.71663500 0.90454100 0.19415500 1.0
B B5 1 0.52622800 0.95076600 0.43659000 1.0
B B6 1 0.06885900 0.98384700 0.23469800 1.0
B B7 1 0.65367700 0.83717300 0.54377600 1.0
B B8 1 0.38161200 0.90405300 0.19717500 1.0
B B9 1 0.94864500 0.75691100 0.47254800 1.0
B B10 1 0.19457800 0.95485200 0.09862300 1.0
B B11 1 0.76485600 0.80893200 0.38660900 1.0
B B12 1 0.50164000 0.87469300 0.05181700 1.0
B B13 1 0.43145200 0.80843500 0.39041200 1.0
B B14 1 0.99588600 0.66311700 0.66147400 1.0
B B15 1 0.04917700 0.90369400 0.85577800 1.0
B B16 1 0.62162000 0.76242000 0.14798500 1.0
B B17 1 0.13573400 0.84439200 0.50539300 1.0
B B18 1 0.29635300 0.80537800 0.70939600 1.0
B B19 1 0.71551200 0.71471300 0.79137400 1.0
B B20 1 0.87174400 0.66585000 0.99858000 1.0
B B21 1 0.00418400 0.86768400 0.06116600 1.0
B B22 1 0.57908800 0.72413000 0.35625300 1.0
B B23 1 0.41740300 0.76371300 0.15081400 1.0
B B24 1 0.97792400 0.61042400 0.41684100 1.0
B B25 1 0.28544700 0.75895600 0.47556200 1.0
B B26 1 0.85975800 0.62130100 0.76436500 1.0
B B27 1 0.67036600 0.66994900 0.00709200 1.0
B B28 1 0.09221200 0.80714700 0.71205500 1.0
B B29 1 0.21136900 0.69471800 0.80665300 1.0
B B30 1 0.79665500 0.55375200 0.11287700 1.0
B B31 1 0.52616800 0.62384500 0.76770900 1.0
B B32 1 0.33316200 0.66476400 0.66607300 1.0
B B33 1 0.90914400 0.52470600 0.95744400 1.0
B B34 1 0.07118900 0.72822600 0.33305900 1.0
B B35 1 0.64645200 0.59211900 0.62523100 1.0
B B36 1 0.57542700 0.52630600 0.96191600 1.0
B B37 1 0.18957100 0.61513400 0.42572300 1.0
B B38 1 0.76470100 0.47867100 0.71771800 1.0
B B39 1 0.28190000 0.55887800 0.08022500 1.0
B B40 1 0.85682700 0.43067000 0.35726100 1.0
B B41 1 0.44154100 0.51849700 0.28357800 1.0
B B42 1 0.14559800 0.57921000 0.63198400 1.0
B B43 1 0.72218100 0.44139700 0.92566200 1.0
B B44 1 0.56134600 0.48168700 0.72293900 1.0
B B45 1 0.43049700 0.47281200 0.04940200 1.0
B B46 1 0.23820000 0.52116100 0.28650500 1.0
B B47 1 0.80890400 0.38719600 0.56893600 1.0
B B48 1 0.35566600 0.40791700 0.38046500 1.0
B B49 1 0.92590200 0.27074600 0.66317300 1.0
B B50 1 0.09575700 0.47425100 0.04926800 1.0
B B51 1 0.66795200 0.33923200 0.33198100 1.0
B B52 1 0.47520500 0.37585300 0.23874600 1.0
B B53 1 0.78694000 0.30716300 0.19015000 1.0
B B54 1 0.21650500 0.44337600 0.90782100 1.0
B B55 1 0.14275400 0.37798300 0.23946500 1.0
B B56 1 0.71258700 0.24296500 0.52128500 1.0
B B57 1 0.90344200 0.19229200 0.28275700 1.0
B B58 1 0.33399900 0.32807800 0.00226000 1.0
B B59 1 0.42059200 0.27601600 0.64522200 1.0
B B60 1 0.01127600 0.38092300 0.56453700 1.0
B B61 1 0.99505100 0.13244300 0.93711000 1.0
B B62 1 0.58201000 0.23607500 0.84829900 1.0
B B63 1 0.28645900 0.28380900 0.21467600 1.0
B B64 1 0.86087100 0.15540500 0.49109700 1.0
B B65 1 0.70128400 0.19605200 0.28771200 1.0
B B66 1 0.13097900 0.33247500 0.00630600 1.0
B B67 1 0.99948900 0.33603100 0.33076200 1.0
B B68 1 0.56759700 0.19215900 0.60819600 1.0
B B69 1 0.37806300 0.23773500 0.85299600 1.0
B B70 1 0.94916800 0.09616200 0.14172200 1.0
B B71 1 0.49762400 0.12532300 0.94707600 1.0
B B72 1 0.80470900 0.04499500 0.89993100 1.0
B B73 1 0.23349700 0.19176200 0.61248000 1.0
B B74 1 0.04618900 0.24007900 0.52055100 1.0
B B75 1 0.61799200 0.09605400 0.80162600 1.0
B B76 1 0.34559200 0.16373700 0.45551900 1.0
B B77 1 0.93021500 0.01628600 0.76387100 1.0
B B78 1 0.28251300 0.09582300 0.80474700 1.0
B B79 1 0.47315000 0.04963300 0.56232600 1.0
B B80 1 0.16150600 0.10097600 0.15049600 1.0
B B81 1 0.43161400 0.01062700 0.77332400 1.0
B B82 1 0.26991600 0.05104600 0.56827700 1.0
B B83 1 0.14680900 0.04905500 0.90790900 1.0
O O84 1 0.13518800 0.96379500 0.44530400 1.0
O O85 1 0.43256100 0.89135200 0.83696800 1.0
O O86 1 0.28165700 0.67788000 0.02065800 1.0
O O87 1 0.00706100 0.74981800 0.12387100 1.0
O O88 1 0.57801900 0.60432700 0.41167500 1.0
O O89 1 0.71761500 0.32167100 0.97754500 1.0
O O90 1 0.42501900 0.39591800 0.59365600 1.0
O O91 1 0.14892700 0.46177900 0.69575300 1.0
O O92 1 0.99329900 0.25075200 0.87482600 1.0
O O93 1 0.56534400 0.10928500 0.16153800 1.0
O O94 1 0.86294000 0.03671000 0.55314500 1.0