基础信息
化学式
Lu10In20Ni9
MP-ID
mp-1198338
元素数
3
位点数
78
密度
9.5063
g/cm³
体积
1,598.04
ų
晶胞参数 a
13.3223
Å
晶胞参数 b
13.3223
Å
晶胞参数 c
9.0038
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P4/nmm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.39777
eV/atom
能量/原子
-4.30601
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-4.3060
eV/atom
体积/原子
20.49
ų
c/a 比
0.6759
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
0.0447
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000030
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
In · 0.513
元素家族
N/A
溶质分数
0.487
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.474
家族
In-rich Multi-Component
基质元素
In · 0.513
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-1198338
参考引用
The crystal structure and related material properties of Lu10In20Ni9 were obtained from the Materials Project database (MP-ID: mp-1198338, 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_Lu10In20Ni9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.32233700
_cell_length_b 13.32233700
_cell_length_c 9.00383600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu10In20Ni9
_chemical_formula_sum 'Lu20 In40 Ni18'
_cell_volume 1598.04279944
_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
Lu Lu0 1 0.50000000 0.00000000 0.36100300 1.0
Lu Lu1 1 0.00000000 0.50000000 0.63899700 1.0
Lu Lu2 1 0.50000000 0.00000000 0.83666000 1.0
Lu Lu3 1 0.00000000 0.50000000 0.16334000 1.0
Lu Lu4 1 0.50000000 0.27570200 0.76810000 1.0
Lu Lu5 1 0.50000000 0.72429800 0.76810000 1.0
Lu Lu6 1 0.77570200 0.00000000 0.76810000 1.0
Lu Lu7 1 0.22429800 0.00000000 0.76810000 1.0
Lu Lu8 1 0.00000000 0.22429800 0.23190000 1.0
Lu Lu9 1 0.00000000 0.77570200 0.23190000 1.0
Lu Lu10 1 0.72429800 0.50000000 0.23190000 1.0
Lu Lu11 1 0.27570200 0.50000000 0.23190000 1.0
Lu Lu12 1 0.70198500 0.20198500 0.26578900 1.0
Lu Lu13 1 0.70198500 0.79801500 0.26578900 1.0
Lu Lu14 1 0.29801500 0.20198500 0.26578900 1.0
Lu Lu15 1 0.29801500 0.79801500 0.26578900 1.0
Lu Lu16 1 0.79801500 0.29801500 0.73421100 1.0
Lu Lu17 1 0.79801500 0.70198500 0.73421100 1.0
Lu Lu18 1 0.20198500 0.29801500 0.73421100 1.0
Lu Lu19 1 0.20198500 0.70198500 0.73421100 1.0
In In20 1 0.34585300 0.65414700 0.00000000 1.0
In In21 1 0.34585300 0.34585300 0.00000000 1.0
In In22 1 0.65414700 0.65414700 0.00000000 1.0
In In23 1 0.65414700 0.34585300 0.00000000 1.0
In In24 1 0.15414700 0.84585300 0.00000000 1.0
In In25 1 0.15414700 0.15414700 0.00000000 1.0
In In26 1 0.84585300 0.84585300 0.00000000 1.0
In In27 1 0.84585300 0.15414700 0.00000000 1.0
In In28 1 0.86770200 0.13229800 0.50000000 1.0
In In29 1 0.86770200 0.86770200 0.50000000 1.0
In In30 1 0.13229800 0.13229800 0.50000000 1.0
In In31 1 0.13229800 0.86770200 0.50000000 1.0
In In32 1 0.63229800 0.36770200 0.50000000 1.0
In In33 1 0.63229800 0.63229800 0.50000000 1.0
In In34 1 0.36770200 0.36770200 0.50000000 1.0
In In35 1 0.36770200 0.63229800 0.50000000 1.0
In In36 1 0.50000000 0.83420900 0.09473400 1.0
In In37 1 0.50000000 0.16579100 0.09473400 1.0
In In38 1 0.33420900 0.00000000 0.09473400 1.0
In In39 1 0.66579100 0.00000000 0.09473400 1.0
In In40 1 0.00000000 0.66579100 0.90526600 1.0
In In41 1 0.00000000 0.33420900 0.90526600 1.0
In In42 1 0.16579100 0.50000000 0.90526600 1.0
In In43 1 0.83420900 0.50000000 0.90526600 1.0
In In44 1 0.63191000 0.13191000 0.59072200 1.0
In In45 1 0.63191000 0.86809000 0.59072200 1.0
In In46 1 0.36809000 0.13191000 0.59072200 1.0
In In47 1 0.36809000 0.86809000 0.59072200 1.0
In In48 1 0.86809000 0.36809000 0.40927800 1.0
In In49 1 0.86809000 0.63191000 0.40927800 1.0
In In50 1 0.13191000 0.36809000 0.40927800 1.0
In In51 1 0.13191000 0.63191000 0.40927800 1.0
In In52 1 0.50000000 0.61541400 0.23597100 1.0
In In53 1 0.50000000 0.38458600 0.23597100 1.0
In In54 1 0.11541400 0.00000000 0.23597100 1.0
In In55 1 0.88458600 0.00000000 0.23597100 1.0
In In56 1 0.00000000 0.88458600 0.76402900 1.0
In In57 1 0.00000000 0.11541400 0.76402900 1.0
In In58 1 0.38458600 0.50000000 0.76402900 1.0
In In59 1 0.61541400 0.50000000 0.76402900 1.0
Ni Ni60 1 0.50000000 0.50000000 0.00000000 1.0
Ni Ni61 1 0.00000000 0.00000000 0.00000000 1.0
Ni Ni62 1 0.50000000 0.77750900 0.40928700 1.0
Ni Ni63 1 0.50000000 0.22249100 0.40928700 1.0
Ni Ni64 1 0.27750900 0.00000000 0.40928700 1.0
Ni Ni65 1 0.72249100 0.00000000 0.40928700 1.0
Ni Ni66 1 0.00000000 0.72249100 0.59071300 1.0
Ni Ni67 1 0.00000000 0.27750900 0.59071300 1.0
Ni Ni68 1 0.22249100 0.50000000 0.59071300 1.0
Ni Ni69 1 0.77750900 0.50000000 0.59071300 1.0
Ni Ni70 1 0.84446200 0.34446200 0.10335300 1.0
Ni Ni71 1 0.84446200 0.65553800 0.10335300 1.0
Ni Ni72 1 0.15553800 0.34446200 0.10335300 1.0
Ni Ni73 1 0.15553800 0.65553800 0.10335300 1.0
Ni Ni74 1 0.65553800 0.15553800 0.89664700 1.0
Ni Ni75 1 0.65553800 0.84446200 0.89664700 1.0
Ni Ni76 1 0.34446200 0.15553800 0.89664700 1.0
Ni Ni77 1 0.34446200 0.84446200 0.89664700 1.0