Tb3(In3Pt)4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1210056 · 空间群: P-3m1 (#164)

Materials Project API

基础信息

化学式

Tb3(In3Pt)4

MP-ID

mp-1210056

元素数

位点数

密度

9.7061

g/cm³

体积

1,352.37

Å³

晶胞参数 a

10.0515

晶胞参数 b

10.0515

晶胞参数 c

15.4561

α 角

90.00

β 角

90.00

γ 角

120.00

空间群

P-3m1

点群

-3m

晶体系统

Trigonal

Bravais 格子

稳定性

堆积分数

0.7405

能量属性

形成能/原子

-0.68446

eV/atom

能量/原子

-30.71463

eV/atom

凸包距离

0.0022

eV/atom

未修正能量

-4.3022

eV/atom

体积/原子

23.73

Å³

c/a 比

1.5377

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

总磁矩

0.2041

μB

磁有序

磁性位点数

磁化强度/体积

0.000150

μB/Å³

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 · 0.632

元素家族

N/A

溶质分数

0.368

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.563

家族

In-rich Multi-Component

基质元素

In · 0.632

关联任务

关联的计算任务 ID（1 个）

aaacxqxg

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1210056

参考引用

The crystal structure and related material properties of Tb3(In3Pt)4 were obtained from the Materials Project database (MP-ID: mp-1210056, 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_Tb3(In3Pt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05153778
_cell_length_b   10.05153778
_cell_length_c   15.45614300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3(In3Pt)4
_chemical_formula_sum   'Tb9 In36 Pt12'
_cell_volume   1352.37391026
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.33333300  0.66666700  0.01358200  1.0
  Tb  Tb1  1  0.66666700  0.33333300  0.98641800  1.0
  Tb  Tb2  1  0.50739000  0.49261000  0.30526700  1.0
  Tb  Tb3  1  0.49261000  0.50739000  0.69473300  1.0
  Tb  Tb4  1  0.50739000  0.01477900  0.30526700  1.0
  Tb  Tb5  1  0.49261000  0.98522100  0.69473300  1.0
  Tb  Tb6  1  0.98522100  0.49261000  0.30526700  1.0
  Tb  Tb7  1  0.01477900  0.50739000  0.69473300  1.0
  Tb  Tb8  1  0.00000000  0.00000000  0.50000000  1.0
  In  In9  1  0.33333300  0.66666700  0.38409000  1.0
  In  In10  1  0.66666700  0.33333300  0.61591000  1.0
  In  In11  1  0.21224100  0.78775900  0.18650500  1.0
  In  In12  1  0.78775900  0.21224100  0.81349500  1.0
  In  In13  1  0.21224100  0.42448300  0.18650500  1.0
  In  In14  1  0.78775900  0.57551700  0.81349500  1.0
  In  In15  1  0.57551700  0.78775900  0.18650500  1.0
  In  In16  1  0.42448300  0.21224100  0.81349500  1.0
  In  In17  1  0.77843700  0.22156300  0.16754200  1.0
  In  In18  1  0.22156300  0.77843700  0.83245800  1.0
  In  In19  1  0.77843700  0.55687400  0.16754200  1.0
  In  In20  1  0.22156300  0.44312600  0.83245800  1.0
  In  In21  1  0.44312600  0.22156300  0.16754200  1.0
  In  In22  1  0.55687400  0.77843700  0.83245800  1.0
  In  In23  1  0.33333300  0.66666700  0.58067500  1.0
  In  In24  1  0.66666700  0.33333300  0.41932500  1.0
  In  In25  1  0.28686400  0.00000000  0.00000000  1.0
  In  In26  1  0.71313600  0.00000000  0.00000000  1.0
  In  In27  1  0.00000000  0.28686400  0.00000000  1.0
  In  In28  1  0.00000000  0.71313600  0.00000000  1.0
  In  In29  1  0.71313600  0.71313600  0.00000000  1.0
  In  In30  1  0.28686400  0.28686400  0.00000000  1.0
  In  In31  1  0.00000000  0.00000000  0.12740000  1.0
  In  In32  1  0.00000000  0.00000000  0.87260000  1.0
  In  In33  1  0.34979200  0.00000000  0.50000000  1.0
  In  In34  1  0.65020800  0.00000000  0.50000000  1.0
  In  In35  1  0.00000000  0.34979200  0.50000000  1.0
  In  In36  1  0.00000000  0.65020800  0.50000000  1.0
  In  In37  1  0.65020800  0.65020800  0.50000000  1.0
  In  In38  1  0.34979200  0.34979200  0.50000000  1.0
  In  In39  1  0.88136900  0.11863100  0.32140200  1.0
  In  In40  1  0.11863100  0.88136900  0.67859800  1.0
  In  In41  1  0.88136900  0.76273800  0.32140200  1.0
  In  In42  1  0.11863100  0.23726200  0.67859800  1.0
  In  In43  1  0.23726200  0.11863100  0.32140200  1.0
  In  In44  1  0.76273800  0.88136900  0.67859800  1.0
  Pt  Pt45  1  0.49462300  0.50537700  0.11101200  1.0
  Pt  Pt46  1  0.50537700  0.49462300  0.88898800  1.0
  Pt  Pt47  1  0.49462300  0.98924500  0.11101200  1.0
  Pt  Pt48  1  0.50537700  0.01075500  0.88898800  1.0
  Pt  Pt49  1  0.01075500  0.50537700  0.11101200  1.0
  Pt  Pt50  1  0.98924500  0.49462300  0.88898800  1.0
  Pt  Pt51  1  0.17248200  0.82751800  0.36137100  1.0
  Pt  Pt52  1  0.82751800  0.17248200  0.63862900  1.0
  Pt  Pt53  1  0.17248200  0.34496400  0.36137100  1.0
  Pt  Pt54  1  0.82751800  0.65503600  0.63862900  1.0
  Pt  Pt55  1  0.65503600  0.82751800  0.36137100  1.0
  Pt  Pt56  1  0.34496400  0.17248200  0.63862900  1.0

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