基础信息
化学式
Ho6Nb4Al43
MP-ID
mp-1212405
元素数
3
位点数
106
密度
4.4905
g/cm³
体积
1,864.79
ų
晶胞参数 a
11.0203
Å
晶胞参数 b
11.0203
Å
晶胞参数 c
17.7303
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3/mcm
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-0.36134
eV/atom
能量/原子
-11.41237
eV/atom
凸包距离
0.0012
eV/atom
未修正能量
-11.4124
eV/atom
体积/原子
17.59
ų
c/a 比
1.6089
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
0.0000
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 · 0.811
元素家族
N/A
溶质分数
0.189
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.799
家族
Al-based Alloy
基质元素
Al · 0.811
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-1212405
参考引用
The crystal structure and related material properties of Ho6Nb4Al43 were obtained from the Materials Project database (MP-ID: mp-1212405, 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_Ho6Nb4Al43
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.02027418
_cell_length_b 11.02027561
_cell_length_c 17.73025072
_cell_angle_alpha 90.00002373
_cell_angle_beta 89.99997846
_cell_angle_gamma 120.00002168
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Nb4Al43
_chemical_formula_sum 'Ho12 Nb8 Al86'
_cell_volume 1864.79144978
_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
Ho Ho0 1 0.53100155 0.00000039 0.59608391 1.0
Ho Ho1 1 0.46898993 -0.00000001 0.40391896 1.0
Ho Ho2 1 0.00000002 0.53100218 0.59608393 1.0
Ho Ho3 1 0.46898855 0.00000036 0.09609096 1.0
Ho Ho4 1 -0.00000003 0.53100698 0.90390749 1.0
Ho Ho5 1 -0.00000055 0.46899005 0.40391867 1.0
Ho Ho6 1 0.53100685 0.00000044 0.90390751 1.0
Ho Ho7 1 0.00000031 0.46898888 0.09609101 1.0
Ho Ho8 1 0.46899762 0.46899821 0.59608421 1.0
Ho Ho9 1 0.53100907 0.53100952 0.40391890 1.0
Ho Ho10 1 0.53101209 0.53101196 0.09609079 1.0
Ho Ho11 1 0.46899401 0.46899420 0.90390748 1.0
Nb Nb12 1 0.00000077 0.00000012 0.49999977 1.0
Nb Nb13 1 0.00000041 0.00000032 -0.00000625 1.0
Nb Nb14 1 0.72609534 0.00000032 0.74999542 1.0
Nb Nb15 1 0.27390718 -0.00000020 0.25000551 1.0
Nb Nb16 1 0.00000073 0.72609515 0.74999564 1.0
Nb Nb17 1 0.00000070 0.27390811 0.25000522 1.0
Nb Nb18 1 0.27390544 0.27390522 0.74999537 1.0
Nb Nb19 1 0.72609243 0.72609287 0.25000541 1.0
Al Al20 1 0.15326327 0.59695481 0.74999737 1.0
Al Al21 1 0.84673663 0.40304384 0.25000320 1.0
Al Al22 1 0.40304467 0.55630876 0.74999762 1.0
Al Al23 1 0.59695506 0.15326329 0.74999732 1.0
Al Al24 1 0.59695652 0.44369027 0.25000227 1.0
Al Al25 1 0.40304255 0.84673299 0.25000245 1.0
Al Al26 1 0.44369240 0.84673731 0.74999730 1.0
Al Al27 1 0.55630807 0.40304545 0.74999765 1.0
Al Al28 1 0.55630963 0.15326742 0.25000234 1.0
Al Al29 1 0.44369212 0.59695624 0.25000314 1.0
Al Al30 1 0.84673624 0.44369148 0.74999726 1.0
Al Al31 1 0.15326432 0.55630723 0.25000296 1.0
Al Al32 1 0.15907510 0.00000062 0.11518577 1.0
Al Al33 1 0.84093283 0.00000065 0.88481771 1.0
Al Al34 1 -0.00000040 0.15907523 0.11518539 1.0
Al Al35 1 0.84092509 -0.00000078 0.61518021 1.0
Al Al36 1 -0.00000019 0.15907714 0.38481494 1.0
Al Al37 1 0.00000044 0.84093160 0.88481810 1.0
Al Al38 1 0.15907658 0.00000041 0.38481520 1.0
Al Al39 1 0.00000237 0.84092460 0.61518249 1.0
Al Al40 1 0.84092496 0.84092592 0.11518562 1.0
Al Al41 1 0.15906842 0.15906880 0.88481760 1.0
Al Al42 1 0.15907531 0.15907556 0.61518468 1.0
Al Al43 1 0.84092157 0.84092168 0.38481563 1.0
Al Al44 1 0.24743721 0.49488062 0.49999982 1.0
Al Al45 1 0.75255649 0.50511710 0.49999972 1.0
Al Al46 1 0.50511714 0.75255705 0.49999993 1.0
Al Al47 1 0.75255703 0.50511835 0.00000057 1.0
Al Al48 1 0.49488213 0.24743981 0.00000072 1.0
Al Al49 1 0.49488009 0.24743820 0.49999973 1.0
Al Al50 1 0.24743982 0.49488269 0.00000064 1.0
Al Al51 1 0.50511778 0.75255759 0.00000063 1.0
Al Al52 1 0.24744245 0.75255974 0.49999955 1.0
Al Al53 1 0.75256137 0.24744023 0.50000003 1.0
Al Al54 1 0.75256060 0.24744341 0.00000078 1.0
Al Al55 1 0.24744288 0.75256109 0.00000062 1.0
Al Al56 1 0.14828950 0.00000026 0.74999808 1.0
Al Al57 1 0.85171274 0.00000045 0.25000061 1.0
Al Al58 1 0.00000023 0.14828956 0.74999771 1.0
Al Al59 1 -0.00000065 0.85171333 0.25000047 1.0
Al Al60 1 0.85171171 0.85171154 0.74999802 1.0
Al Al61 1 0.14828716 0.14828719 0.25000064 1.0
Al Al62 1 0.33333273 0.66666700 0.62457170 1.0
Al Al63 1 0.66666611 0.33333303 0.37542289 1.0
Al Al64 1 0.66666660 0.33333379 0.12457946 1.0
Al Al65 1 0.66666687 0.33333341 0.87542727 1.0
Al Al66 1 0.33333379 0.66666770 0.87542723 1.0
Al Al67 1 0.33333299 0.66666617 0.12457948 1.0
Al Al68 1 0.33333252 0.66666652 0.37542295 1.0
Al Al69 1 0.66666583 0.33333255 0.62457158 1.0
Al Al70 1 0.25578618 -0.00000104 0.52953959 1.0
Al Al71 1 0.74421421 -0.00000092 0.47046738 1.0
Al Al72 1 0.00000072 0.25578349 0.52953927 1.0
Al Al73 1 0.74421447 0.00000031 0.02953364 1.0
Al Al74 1 0.00000016 0.25578402 0.97046107 1.0
Al Al75 1 -0.00000100 0.74421424 0.47046731 1.0
Al Al76 1 0.25578355 0.00000060 0.97046105 1.0
Al Al77 1 -0.00000022 0.74421482 0.02953405 1.0
Al Al78 1 0.74421712 0.74421731 0.52953856 1.0
Al Al79 1 0.25579096 0.25579159 0.47046719 1.0
Al Al80 1 0.25578545 0.25578511 0.02953343 1.0
Al Al81 1 0.74421687 0.74421770 0.97046078 1.0
Al Al82 1 0.15804154 0.39502746 0.66232060 1.0
Al Al83 1 0.84195407 0.60496970 0.33767537 1.0
Al Al84 1 0.60497204 0.76301434 0.66232150 1.0
Al Al85 1 0.84195469 0.60496256 0.16232692 1.0
Al Al86 1 0.39503110 0.15804737 0.83767544 1.0
Al Al87 1 0.39502957 0.23698450 0.33767562 1.0
Al Al88 1 0.15804754 0.39503126 0.83767561 1.0
Al Al89 1 0.60496329 0.84195206 0.16232606 1.0
Al Al90 1 0.23698633 0.84195919 0.66232182 1.0
Al Al91 1 0.39503813 0.23699285 0.16232727 1.0
Al Al92 1 0.76301602 0.60496933 0.83767513 1.0
Al Al93 1 0.76301547 0.15804544 0.33767545 1.0
Al Al94 1 0.60496980 0.76301640 0.83767519 1.0
Al Al95 1 0.23698501 0.39503100 0.16232688 1.0
Al Al96 1 0.60496931 0.84195413 0.33767614 1.0
Al Al97 1 0.39502698 0.15804151 0.66232115 1.0
Al Al98 1 0.76300715 0.15804553 0.16232717 1.0
Al Al99 1 0.23698447 0.39503005 0.33767555 1.0
Al Al100 1 0.23698512 0.84195415 0.83767501 1.0
Al Al101 1 0.76301375 0.60497173 0.66232182 1.0
Al Al102 1 0.84195372 0.23698453 0.83767525 1.0
Al Al103 1 0.15804524 0.76300758 0.16232708 1.0
Al Al104 1 0.15804480 0.76301541 0.33767597 1.0
Al Al105 1 0.84195832 0.23698566 0.66232072 1.0