Pr25Ni49P33

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1212765 · 空间群: P-6m2 (#187)

Materials Project API

基础信息

化学式

Pr25Ni49P33

MP-ID

mp-1212765

元素数

位点数

107

密度

7.3283

g/cm³

体积

1,681.51

Å³

晶胞参数 a

3.9655

晶胞参数 b

22.1277

晶胞参数 c

22.1277

α 角

120.00

β 角

90.00

γ 角

90.00

空间群

P-6m2

点群

-6m2

晶体系统

Hexagonal

Bravais 格子

稳定性

Yes

堆积分数

0.7405

能量属性

形成能/原子

-0.94502

eV/atom

能量/原子

-6.38263

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-6.3826

eV/atom

体积/原子

15.72

Å³

c/a 比

5.5801

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

0.0154

μB

磁有序

磁性位点数

磁化强度/体积

0.000010

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

Ni · 0.458

元素家族

N/A

溶质分数

0.542

间隙分数

0.308

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.617

家族

Ni-based Alloy

基质元素

Ni · 0.458

关联任务

关联的计算任务 ID（1 个）

aaacraav

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-1212765

参考引用

The crystal structure and related material properties of Pr25Ni49P33 were obtained from the Materials Project database (MP-ID: mp-1212765, 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_Pr25Ni49P33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96550034
_cell_length_b   22.12766925
_cell_length_c   22.12766925
_cell_angle_alpha   120.00000135
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr25Ni49P33
_chemical_formula_sum   'Pr25 Ni49 P33'
_cell_volume   1681.51195693
_cell_formula_units_Z   1
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
  Pr  Pr0  1  0.50000000  0.57290585  0.60888685  1.0
  Pr  Pr1  1  0.50000000  0.03598101  0.42709415  1.0
  Pr  Pr2  1  0.50000000  0.03598101  0.60888685  1.0
  Pr  Pr3  1  0.50000000  0.39111315  0.96401899  1.0
  Pr  Pr4  1  0.50000000  0.39111315  0.42709415  1.0
  Pr  Pr5  1  0.50000000  0.57290585  0.96401899  1.0
  Pr  Pr6  1  0.00000000  0.82227064  0.64454127  1.0
  Pr  Pr7  1  -0.00000000  0.82227064  0.17772936  1.0
  Pr  Pr8  1  0.00000000  0.35545873  0.17772936  1.0
  Pr  Pr9  1  0.50000000  0.57441826  0.14883651  1.0
  Pr  Pr10  1  0.50000000  0.57441826  0.42558174  1.0
  Pr  Pr11  1  0.50000000  0.85116349  0.42558174  1.0
  Pr  Pr12  1  -0.00000000  0.00096850  0.18025251  1.0
  Pr  Pr13  1  0.00000000  0.17928401  0.99903150  1.0
  Pr  Pr14  1  0.00000000  0.17928401  0.18025251  1.0
  Pr  Pr15  1  0.00000000  0.81974749  0.82071599  1.0
  Pr  Pr16  1  -0.00000000  0.81974749  0.99903150  1.0
  Pr  Pr17  1  0.00000000  0.00096850  0.82071599  1.0
  Pr  Pr18  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr19  1  0.50000000  0.21390485  0.42780970  1.0
  Pr  Pr20  1  0.50000000  0.21390485  0.78609515  1.0
  Pr  Pr21  1  0.50000000  0.57219030  0.78609515  1.0
  Pr  Pr22  1  0.50000000  0.39290256  0.78580512  1.0
  Pr  Pr23  1  0.50000000  0.39290256  0.60709744  1.0
  Pr  Pr24  1  0.50000000  0.21419488  0.60709744  1.0
  Ni  Ni25  1  0.50000000  0.88437042  0.30382353  1.0
  Ni  Ni26  1  0.50000000  0.41945311  0.11562958  1.0
  Ni  Ni27  1  0.50000000  0.41945311  0.30382353  1.0
  Ni  Ni28  1  0.50000000  0.69617647  0.58054689  1.0
  Ni  Ni29  1  0.50000000  0.69617647  0.11562958  1.0
  Ni  Ni30  1  0.50000000  0.88437042  0.58054689  1.0
  Ni  Ni31  1  0.00000000  0.80450385  0.30386239  1.0
  Ni  Ni32  1  -0.00000000  0.49935854  0.19549615  1.0
  Ni  Ni33  1  -0.00000000  0.49935854  0.30386239  1.0
  Ni  Ni34  1  -0.00000000  0.69613761  0.50064146  1.0
  Ni  Ni35  1  0.00000000  0.69613761  0.19549615  1.0
  Ni  Ni36  1  -0.00000000  0.80450385  0.50064146  1.0
  Ni  Ni37  1  0.50000000  0.69514248  0.76066076  1.0
  Ni  Ni38  1  0.50000000  0.06551828  0.30485752  1.0
  Ni  Ni39  1  0.50000000  0.06551828  0.76066076  1.0
  Ni  Ni40  1  0.50000000  0.23933924  0.93448172  1.0
  Ni  Ni41  1  0.50000000  0.23933924  0.30485752  1.0
  Ni  Ni42  1  0.50000000  0.69514248  0.93448172  1.0
  Ni  Ni43  1  -0.00000000  0.51228359  0.02456719  1.0
  Ni  Ni44  1  0.00000000  0.51228359  0.48771641  1.0
  Ni  Ni45  1  -0.00000000  0.97543281  0.48771641  1.0
  Ni  Ni46  1  0.00000000  0.63116342  0.26232684  1.0
  Ni  Ni47  1  -0.00000000  0.63116342  0.36883658  1.0
  Ni  Ni48  1  0.00000000  0.73767316  0.36883658  1.0
  Ni  Ni49  1  0.50000000  0.06021906  0.12043811  1.0
  Ni  Ni50  1  0.50000000  0.06021906  0.93978094  1.0
  Ni  Ni51  1  0.50000000  0.87956189  0.93978094  1.0
  Ni  Ni52  1  0.50000000  0.70685613  0.41371225  1.0
  Ni  Ni53  1  0.50000000  0.70685613  0.29314387  1.0
  Ni  Ni54  1  0.50000000  0.58628775  0.29314387  1.0
  Ni  Ni55  1  -0.00000000  0.33333300  0.66666700  1.0
  Ni  Ni56  1  -0.00000000  0.97451438  0.30306275  1.0
  Ni  Ni57  1  -0.00000000  0.32854837  0.02548562  1.0
  Ni  Ni58  1  0.00000000  0.32854837  0.30306275  1.0
  Ni  Ni59  1  0.00000000  0.69693725  0.67145163  1.0
  Ni  Ni60  1  -0.00000000  0.69693725  0.02548562  1.0
  Ni  Ni61  1  -0.00000000  0.97451438  0.67145163  1.0
  Ni  Ni62  1  0.00000000  0.15150106  0.30300212  1.0
  Ni  Ni63  1  -0.00000000  0.15150106  0.84849894  1.0
  Ni  Ni64  1  0.00000000  0.69699788  0.84849894  1.0
  Ni  Ni65  1  0.50000000  0.88051035  0.76102071  1.0
  Ni  Ni66  1  0.50000000  0.88051035  0.11948965  1.0
  Ni  Ni67  1  0.50000000  0.23897929  0.11948965  1.0
  Ni  Ni68  1  0.00000000  0.51261767  0.66717705  1.0
  Ni  Ni69  1  0.00000000  0.15455938  0.48738233  1.0
  Ni  Ni70  1  -0.00000000  0.15455938  0.66717705  1.0
  Ni  Ni71  1  -0.00000000  0.33282295  0.84544062  1.0
  Ni  Ni72  1  0.00000000  0.33282295  0.48738233  1.0
  Ni  Ni73  1  0.00000000  0.51261767  0.84544062  1.0
  P  P74  1  0.50000000  0.76293444  0.52586888  1.0
  P  P75  1  0.50000000  0.76293444  0.23706556  1.0
  P  P76  1  0.50000000  0.47413112  0.23706556  1.0
  P  P77  1  -0.00000000  0.27384819  0.54769638  1.0
  P  P78  1  0.00000000  0.27384819  0.72615181  1.0
  P  P79  1  -0.00000000  0.45230362  0.72615181  1.0
  P  P80  1  -0.00000000  0.45226853  0.90453706  1.0
  P  P81  1  0.00000000  0.45226853  0.54773147  1.0
  P  P82  1  -0.00000000  0.09546294  0.54773147  1.0
  P  P83  1  0.50000000  0.11947628  0.23895256  1.0
  P  P84  1  0.50000000  0.11947628  0.88052372  1.0
  P  P85  1  0.50000000  0.76104744  0.88052372  1.0
  P  P86  1  -0.00000000  0.63174115  0.72707245  1.0
  P  P87  1  -0.00000000  0.09533130  0.36825885  1.0
  P  P88  1  0.00000000  0.09533130  0.72707245  1.0
  P  P89  1  0.00000000  0.27292755  0.90466870  1.0
  P  P90  1  -0.00000000  0.27292755  0.36825885  1.0
  P  P91  1  -0.00000000  0.63174115  0.90466870  1.0
  P  P92  1  -0.00000000  0.91932781  0.36945520  1.0
  P  P93  1  0.00000000  0.45012739  0.08067219  1.0
  P  P94  1  -0.00000000  0.45012739  0.36945520  1.0
  P  P95  1  -0.00000000  0.63054480  0.54987261  1.0
  P  P96  1  -0.00000000  0.63054480  0.08067219  1.0
  P  P97  1  0.00000000  0.91932781  0.54987261  1.0
  P  P98  1  0.50000000  0.94051827  0.88103653  1.0
  P  P99  1  0.50000000  0.94051827  0.05948173  1.0
  P  P100  1  0.50000000  0.11896347  0.05948173  1.0
  P  P101  1  0.50000000  0.94220097  0.23937542  1.0
  P  P102  1  0.50000000  0.29717446  0.05779903  1.0
  P  P103  1  0.50000000  0.29717446  0.23937542  1.0
  P  P104  1  0.50000000  0.76062458  0.70282554  1.0
  P  P105  1  0.50000000  0.76062458  0.05779903  1.0
  P  P106  1  0.50000000  0.94220097  0.70282554  1.0

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