Ta24Al19
传统材料 TRAMP-ID: mp-1208546 · 空间群: P2_1/c (#14)
基础信息
化学式
Ta24Al19
MP-ID
mp-1208546
元素数
2
位点数
86
密度
11.4852
g/cm³
体积
1,404.00
ų
晶胞参数 a
9.8271
Å
晶胞参数 b
9.8324
Å
晶胞参数 c
14.7650
Å
α 角
90.00
°
β 角
100.22
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.31516
eV/atom
能量/原子
-30.41083
eV/atom
凸包距离
0.0008
eV/atom
未修正能量
-8.5388
eV/atom
体积/原子
16.33
ų
c/a 比
1.5025
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
0.0119
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.000010
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
Ta · 0.558
元素家族
N/A
溶质分数
0.442
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.647
家族
Binary Alloy
基质元素
Ta · 0.558
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1208546
参考引用
The crystal structure and related material properties of Ta24Al19 were obtained from the Materials Project database (MP-ID: mp-1208546, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Ta24Al19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82709435
_cell_length_b 9.83234706
_cell_length_c 14.76504077
_cell_angle_alpha 90.00030582
_cell_angle_beta 100.22368334
_cell_angle_gamma 89.99967127
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta24Al19
_chemical_formula_sum 'Ta48 Al38'
_cell_volume 1403.99661306
_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
Ta Ta0 1 0.08031783 0.90151083 0.18421028 1.0
Ta Ta1 1 0.91970365 0.09851514 0.81579303 1.0
Ta Ta2 1 0.41960681 0.40150582 0.31586072 1.0
Ta Ta3 1 0.58031913 0.59851041 0.68416708 1.0
Ta Ta4 1 0.47134032 0.86005721 0.01347085 1.0
Ta Ta5 1 0.52864084 0.13993133 0.98643093 1.0
Ta Ta6 1 0.02864296 0.35999820 0.48653942 1.0
Ta Ta7 1 0.97136862 0.64001296 0.51349023 1.0
Ta Ta8 1 0.77493747 0.94468694 0.09112388 1.0
Ta Ta9 1 0.22502550 0.05531212 0.90886398 1.0
Ta Ta10 1 0.72507695 0.44462372 0.40887805 1.0
Ta Ta11 1 0.27493324 0.55533538 0.59112944 1.0
Ta Ta12 1 0.23201036 0.57999119 0.41238664 1.0
Ta Ta13 1 0.76797854 0.42000274 0.58762332 1.0
Ta Ta14 1 0.26797350 0.07996414 0.08762904 1.0
Ta Ta15 1 0.73206266 0.92006569 0.91236226 1.0
Ta Ta16 1 0.92727255 0.42882659 0.14125385 1.0
Ta Ta17 1 0.07269983 0.57116595 0.85873950 1.0
Ta Ta18 1 0.57274348 0.92887830 0.35876429 1.0
Ta Ta19 1 0.42725825 0.07113164 0.64123437 1.0
Ta Ta20 1 0.68036970 0.65768076 0.02906805 1.0
Ta Ta21 1 0.31963737 0.34233752 0.97093362 1.0
Ta Ta22 1 0.81964703 0.15762991 0.47089045 1.0
Ta Ta23 1 0.18032162 0.84237460 0.52906760 1.0
Ta Ta24 1 0.41852587 0.56585383 0.14073230 1.0
Ta Ta25 1 0.58147173 0.43405624 0.85929890 1.0
Ta Ta26 1 0.08150995 0.06588877 0.35927854 1.0
Ta Ta27 1 0.91852108 0.93407063 0.64071733 1.0
Ta Ta28 1 0.94191364 0.72698111 0.02028166 1.0
Ta Ta29 1 0.05808391 0.27302729 0.97972640 1.0
Ta Ta30 1 0.55807920 0.22691748 0.47967748 1.0
Ta Ta31 1 0.44190227 0.77304804 0.52026389 1.0
Ta Ta32 1 0.20085669 0.79695815 0.02237080 1.0
Ta Ta33 1 0.79913655 0.20305688 0.97766005 1.0
Ta Ta34 1 0.29913082 0.29688233 0.47762113 1.0
Ta Ta35 1 0.70087039 0.70308723 0.52238047 1.0
Ta Ta36 1 0.01172478 0.15724244 0.16542073 1.0
Ta Ta37 1 0.98825053 0.84278134 0.83458029 1.0
Ta Ta38 1 0.48825215 0.65724087 0.33460904 1.0
Ta Ta39 1 0.51174418 0.34275807 0.66539331 1.0
Ta Ta40 1 0.81500056 0.98623468 0.27780947 1.0
Ta Ta41 1 0.18498820 0.01381387 0.72219490 1.0
Ta Ta42 1 0.68505663 0.48621119 0.22221285 1.0
Ta Ta43 1 0.31497785 0.51381396 0.77777408 1.0
Ta Ta44 1 0.16672796 0.62280080 0.21930398 1.0
Ta Ta45 1 0.83327020 0.37721632 0.78069928 1.0
Ta Ta46 1 0.33322616 0.12280912 0.28073620 1.0
Ta Ta47 1 0.66676775 0.87724176 0.71928403 1.0
Al Al48 1 0.14175414 0.53164008 0.04053989 1.0
Al Al49 1 0.85823685 0.46836207 0.95946296 1.0
Al Al50 1 0.35822279 0.03160372 0.45947733 1.0
Al Al51 1 0.64177625 0.96836281 0.54051987 1.0
Al Al52 1 0.95678106 0.52676210 0.32985970 1.0
Al Al53 1 0.04321756 0.47324076 0.67014382 1.0
Al Al54 1 0.54321228 0.02670883 0.17015000 1.0
Al Al55 1 0.45679340 0.97327158 0.82985908 1.0
Al Al56 1 0.61628842 0.76855256 0.18976876 1.0
Al Al57 1 0.38370177 0.23142171 0.81022087 1.0
Al Al58 1 0.88376229 0.26857572 0.31025781 1.0
Al Al59 1 0.11630651 0.73146079 0.68977465 1.0
Al Al60 1 0.87686803 0.70291772 0.18791416 1.0
Al Al61 1 0.12312729 0.29711734 0.81210110 1.0
Al Al62 1 0.62315111 0.20290023 0.31202515 1.0
Al Al63 1 0.37688361 0.79713913 0.68788816 1.0
Al Al64 1 0.00000795 0.00000989 0.00001766 1.0
Al Al65 1 0.49999780 0.49998375 0.49999393 1.0
Al Al66 1 0.76245281 0.70946094 0.35113476 1.0
Al Al67 1 0.23752668 0.29049912 0.64886092 1.0
Al Al68 1 0.73747628 0.20942347 0.14890106 1.0
Al Al69 1 0.26246067 0.79054073 0.85113903 1.0
Al Al70 1 0.28205367 0.84430146 0.34838771 1.0
Al Al71 1 0.71791836 0.15568220 0.65158104 1.0
Al Al72 1 0.21799919 0.34429860 0.15160434 1.0
Al Al73 1 0.78202557 0.65570947 0.84840820 1.0
Al Al74 1 0.03176210 0.78553971 0.35016776 1.0
Al Al75 1 0.96821273 0.21444848 0.64981426 1.0
Al Al76 1 0.46834636 0.28554382 0.14987158 1.0
Al Al77 1 0.53179599 0.71447223 0.85017277 1.0
Al Al78 1 0.88630568 0.89944148 0.45870620 1.0
Al Al79 1 0.11365598 0.10053955 0.54127774 1.0
Al Al80 1 0.61369169 0.39947178 0.04133238 1.0
Al Al81 1 0.38634603 0.60053336 0.95870673 1.0
Al Al82 1 0.14184262 0.33889493 0.31048244 1.0
Al Al83 1 0.85812335 0.66112505 0.68951903 1.0
Al Al84 1 0.35811385 0.83884716 0.18949917 1.0
Al Al85 1 0.64192600 0.16115514 0.81051699 1.0