Al
传统材料 TRAMP-ID: mp-1245152 · 空间群: P1 (#1)
基础信息
化学式
Al
MP-ID
mp-1245152
元素数
1
位点数
100
密度
2.5506
g/cm³
体积
1,756.58
ų
晶胞参数 a
12.2773
Å
晶胞参数 b
12.1141
Å
晶胞参数 c
11.9036
Å
α 角
96.21
°
β 角
92.36
°
γ 角
92.42
°
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
0.10208
eV/atom
能量/原子
-6.63002
eV/atom
凸包距离
0.1021
eV/atom
未修正能量
-3.6435
eV/atom
体积/原子
17.57
ų
c/a 比
0.9696
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
0.0086
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
Al · 1.000
元素家族
N/A
溶质分数
0.000
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.715
家族
Pure Metal
基质元素
Al · 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-1245152
参考引用
The crystal structure and related material properties of Al were obtained from the Materials Project database (MP-ID: mp-1245152, 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_Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.27731983
_cell_length_b 12.11408711
_cell_length_c 11.90356656
_cell_angle_alpha 96.20779872
_cell_angle_beta 92.36207185
_cell_angle_gamma 92.42355869
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al
_chemical_formula_sum Al100
_cell_volume 1756.57501811
_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
Al Al0 1 0.10079012 0.75759926 0.28311821 1.0
Al Al1 1 0.36568162 0.11848681 0.31385445 1.0
Al Al2 1 0.60560777 0.53297281 0.61730994 1.0
Al Al3 1 0.51728632 0.93847309 0.90344109 1.0
Al Al4 1 0.79708022 0.23683367 0.98450289 1.0
Al Al5 1 0.74312589 0.85124474 0.03054997 1.0
Al Al6 1 0.94401298 0.30074837 0.37792395 1.0
Al Al7 1 0.48756685 0.12663267 0.71809730 1.0
Al Al8 1 0.01596639 0.49968492 0.27266921 1.0
Al Al9 1 0.07199525 0.08803076 0.98303108 1.0
Al Al10 1 0.20183442 0.26127603 0.90822552 1.0
Al Al11 1 0.71217319 0.54971830 0.15867903 1.0
Al Al12 1 0.71820853 0.64372718 0.86266372 1.0
Al Al13 1 0.30910156 0.29401333 0.46035254 1.0
Al Al14 1 0.13472942 0.07653653 0.76053693 1.0
Al Al15 1 0.56231349 0.66533689 0.02628113 1.0
Al Al16 1 0.15065416 0.43788486 0.42830986 1.0
Al Al17 1 0.20081225 0.37910917 0.69021312 1.0
Al Al18 1 0.73054033 0.99393442 0.26358456 1.0
Al Al19 1 0.98932187 0.25098175 0.13799709 1.0
Al Al20 1 0.46149617 0.71094306 0.57426632 1.0
Al Al21 1 0.62344250 0.31461610 0.71455517 1.0
Al Al22 1 0.19907566 0.91439194 0.89865186 1.0
Al Al23 1 0.35432572 0.35065815 0.25495581 1.0
Al Al24 1 0.10035843 0.24031333 0.52648537 1.0
Al Al25 1 0.71050535 0.43566128 0.94674711 1.0
Al Al26 1 0.88485940 0.04169201 0.09627275 1.0
Al Al27 1 0.16972650 0.03783466 0.42637043 1.0
Al Al28 1 0.97448577 0.07886443 0.58588372 1.0
Al Al29 1 0.32344310 0.55283815 0.81615608 1.0
Al Al30 1 0.40538253 0.52899500 0.41785561 1.0
Al Al31 1 0.40748486 0.73132954 0.19046711 1.0
Al Al32 1 0.79125747 0.14286362 0.46089927 1.0
Al Al33 1 0.27369920 0.74795089 0.73460459 1.0
Al Al34 1 0.37375569 0.76485406 0.95568587 1.0
Al Al35 1 0.68102168 0.76242729 0.21966664 1.0
Al Al36 1 0.25088277 0.17831366 0.10879633 1.0
Al Al37 1 0.56756028 0.24910887 0.93212195 1.0
Al Al38 1 0.86850095 0.66917810 0.05122882 1.0
Al Al39 1 0.78671276 0.21369724 0.22117272 1.0
Al Al40 1 0.17948562 0.88419653 0.58329867 1.0
Al Al41 1 0.40239984 0.36353072 0.03580005 1.0
Al Al42 1 0.78177212 0.97431440 0.62648972 1.0
Al Al43 1 0.07390646 0.60172634 0.08912263 1.0
Al Al44 1 0.55542440 0.91291603 0.66960892 1.0
Al Al45 1 0.99863534 0.86341146 0.00246537 1.0
Al Al46 1 0.24173176 0.56825702 0.26443775 1.0
Al Al47 1 0.56725612 0.38676198 0.40727257 1.0
Al Al48 1 0.87003502 0.65831198 0.32563951 1.0
Al Al49 1 0.97139085 0.37442207 0.66417992 1.0
Al Al50 1 0.99235329 0.90103252 0.71062416 1.0
Al Al51 1 0.49743843 0.20681582 0.51896524 1.0
Al Al52 1 0.09892307 0.67011928 0.48119610 1.0
Al Al53 1 0.62019650 0.34206880 0.15671969 1.0
Al Al54 1 0.68905286 0.74042256 0.60757410 1.0
Al Al55 1 0.51920372 0.71864912 0.79457703 1.0
Al Al56 1 0.90068195 0.43896368 0.07713453 1.0
Al Al57 1 0.42390923 0.41696729 0.62413733 1.0
Al Al58 1 0.29772832 0.90276125 0.29151308 1.0
Al Al59 1 0.38600364 0.96844779 0.50815426 1.0
Al Al60 1 0.11859858 0.99627887 0.18603434 1.0
Al Al61 1 0.47416759 0.16137135 0.12084842 1.0
Al Al62 1 0.12811103 0.69397908 0.89304923 1.0
Al Al63 1 0.88630273 0.04705583 0.85569432 1.0
Al Al64 1 0.30505765 0.56657164 0.04295890 1.0
Al Al65 1 0.67728344 0.08701454 0.80926035 1.0
Al Al66 1 0.52097496 0.82100714 0.38183211 1.0
Al Al67 1 0.33977597 0.97259356 0.08448202 1.0
Al Al68 1 0.30058980 0.74159541 0.42641760 1.0
Al Al69 1 0.34405208 0.95633086 0.73310735 1.0
Al Al70 1 0.82037999 0.21227622 0.69998091 1.0
Al Al71 1 0.90956409 0.50369742 0.86565570 1.0
Al Al72 1 0.81742945 0.55153020 0.67256705 1.0
Al Al73 1 0.73050250 0.86473513 0.81110295 1.0
Al Al74 1 0.90705424 0.85460546 0.21897554 1.0
Al Al75 1 0.54061504 0.91131225 0.14182917 1.0
Al Al76 1 0.60860755 0.01510635 0.47862475 1.0
Al Al77 1 0.91755932 0.72871599 0.81680030 1.0
Al Al78 1 0.26853234 0.56887379 0.58806079 1.0
Al Al79 1 0.12590897 0.46525640 0.89615944 1.0
Al Al80 1 0.14537607 0.22269699 0.30038406 1.0
Al Al81 1 0.20413212 0.79077505 0.09624666 1.0
Al Al82 1 0.38569913 0.31060560 0.80714603 1.0
Al Al83 1 0.06415386 0.58856087 0.69025377 1.0
Al Al84 1 0.93510993 0.50794983 0.48871297 1.0
Al Al85 1 0.76570363 0.84154951 0.42573490 1.0
Al Al86 1 0.90361621 0.72386289 0.57294451 1.0
Al Al87 1 0.36345897 0.11186707 0.91178048 1.0
Al Al88 1 0.63126073 0.62217307 0.39363158 1.0
Al Al89 1 0.49139177 0.52826648 0.20168220 1.0
Al Al90 1 0.99102638 0.88030983 0.44924452 1.0
Al Al91 1 0.98309652 0.27251095 0.87058119 1.0
Al Al92 1 0.75774055 0.35692032 0.53931753 1.0
Al Al93 1 0.59289062 0.17031125 0.31799934 1.0
Al Al94 1 0.66468634 0.06942584 0.04426831 1.0
Al Al95 1 0.77546402 0.43525317 0.32730512 1.0
Al Al96 1 0.53142001 0.49385710 0.83865322 1.0
Al Al97 1 0.95557684 0.06945941 0.33310951 1.0
Al Al98 1 0.28520041 0.15453470 0.62874530 1.0
Al Al99 1 0.16830353 0.39109402 0.11349681 1.0