Pr31Ni64
传统材料 TRAMP-ID: mp-1222239 · 空间群: R3m (#160)
基础信息
化学式
Pr31Ni64
MP-ID
mp-1222239
元素数
2
位点数
95
密度
8.5082
g/cm³
体积
1,585.65
ų
晶胞参数 a
10.3785
Å
晶胞参数 b
10.3785
Å
晶胞参数 c
18.0237
Å
α 角
73.27
°
β 角
90.00
°
γ 角
120.00
°
空间群
R3m
点群
3m
晶体系统
Trigonal
Bravais 格子
hR
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.28024
eV/atom
能量/原子
-5.73907
eV/atom
凸包距离
0.0041
eV/atom
未修正能量
-5.7391
eV/atom
体积/原子
16.69
ų
c/a 比
1.7366
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
Ni · 0.674
元素家族
N/A
溶质分数
0.326
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.789
家族
Ni-based Alloy
基质元素
Ni · 0.674
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-1222239
参考引用
The crystal structure and related material properties of Pr31Ni64 were obtained from the Materials Project database (MP-ID: mp-1222239, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Pr31Ni64
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37848170
_cell_length_b 10.37848170
_cell_length_c 18.02366990
_cell_angle_alpha 73.26697507
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr31Ni64
_chemical_formula_sum 'Pr31 Ni64'
_cell_volume 1585.65394914
_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 0.49973963 0.99947927 0.00015895 1.0
Pr Pr1 1 0.99301864 0.98603728 0.49279732 1.0
Pr Pr2 1 0.75018808 0.99104610 0.25876583 1.0
Pr Pr3 1 0.25763534 0.99345605 0.74890860 1.0
Pr Pr4 1 0.00036178 0.50010142 0.00015895 1.0
Pr Pr5 1 0.52116540 0.51418404 0.49279732 1.0
Pr Pr6 1 0.75018808 0.50037616 0.25876583 1.0
Pr Pr7 1 0.25763534 0.51527068 0.74890860 1.0
Pr Pr8 1 0.49973963 0.50010142 0.00015895 1.0
Pr Pr9 1 0.99301864 0.51418404 0.49279732 1.0
Pr Pr10 1 0.24085802 0.99104610 0.25876583 1.0
Pr Pr11 1 0.73582071 0.99345605 0.74890860 1.0
Pr Pr12 1 0.43834764 0.37368561 0.18796676 1.0
Pr Pr13 1 0.94017475 0.37358085 0.68624440 1.0
Pr Pr14 1 0.43834764 0.87669527 0.18796676 1.0
Pr Pr15 1 0.94017475 0.88034949 0.68624440 1.0
Pr Pr16 1 0.18597791 0.37195583 0.44206626 1.0
Pr Pr17 1 0.68783248 0.37566497 0.93650255 1.0
Pr Pr18 1 0.93533797 0.37368561 0.18796676 1.0
Pr Pr19 1 0.43340610 0.37358085 0.68624440 1.0
Pr Pr20 1 0.64615945 0.90199225 0.45184830 1.0
Pr Pr21 1 0.18749398 0.87616256 0.93634346 1.0
Pr Pr22 1 0.64615945 0.29231890 0.45184830 1.0
Pr Pr23 1 0.18749398 0.37498796 0.93634346 1.0
Pr Pr24 1 0.93734186 0.87468372 0.18797443 1.0
Pr Pr25 1 0.45176752 0.90353504 0.64469743 1.0
Pr Pr26 1 0.25583280 0.90199225 0.45184830 1.0
Pr Pr27 1 0.68866858 0.87616256 0.93634346 1.0
Pr Pr28 1 0.24927198 0.49854396 0.25218406 1.0
Pr Pr29 1 0.75062232 0.50124464 0.74813304 1.0
Pr Pr30 1 0.99976719 0.99953439 0.00069842 1.0
Ni Ni31 1 0.96882865 0.18749579 0.34374598 1.0
Ni Ni32 1 0.46867073 0.18748624 0.84376475 1.0
Ni Ni33 1 0.46875823 0.68742537 0.34374598 1.0
Ni Ni34 1 0.96874901 0.68756452 0.84376475 1.0
Ni Ni35 1 0.21866225 0.68742322 0.09391453 1.0
Ni Ni36 1 0.71896754 0.68743802 0.59359444 1.0
Ni Ni37 1 0.96882865 0.43758689 0.34374598 1.0
Ni Ni38 1 0.46867073 0.43741974 0.84376475 1.0
Ni Ni39 1 0.21866225 0.43732449 0.09391453 1.0
Ni Ni40 1 0.71896754 0.43793508 0.59359444 1.0
Ni Ni41 1 0.46875823 0.43758689 0.34374598 1.0
Ni Ni42 1 0.96874901 0.43741974 0.84376475 1.0
Ni Ni43 1 0.59416446 0.68778967 0.21858512 1.0
Ni Ni44 1 0.09406832 0.68772826 0.71861179 1.0
Ni Ni45 1 0.09362521 0.18725042 0.21858512 1.0
Ni Ni46 1 0.59365994 0.18731989 0.71861179 1.0
Ni Ni47 1 0.09362521 0.68778967 0.21858512 1.0
Ni Ni48 1 0.59365994 0.68772826 0.71861179 1.0
Ni Ni49 1 0.46876097 0.68742322 0.09391453 1.0
Ni Ni50 1 0.96847048 0.68743802 0.59359444 1.0
Ni Ni51 1 0.21866713 0.68742537 0.34374598 1.0
Ni Ni52 1 0.71881551 0.68756452 0.84376475 1.0
Ni Ni53 1 0.21866713 0.18749579 0.34374598 1.0
Ni Ni54 1 0.71881551 0.18748624 0.84376475 1.0
Ni Ni55 1 0.96748031 0.68770131 0.34481838 1.0
Ni Ni56 1 0.46809669 0.68926759 0.84263572 1.0
Ni Ni57 1 0.96748031 0.93496061 0.34481838 1.0
Ni Ni58 1 0.46809669 0.93619338 0.84263572 1.0
Ni Ni59 1 0.84433995 0.68867991 0.46698014 1.0
Ni Ni60 1 0.34375834 0.68751668 0.96872498 1.0
Ni Ni61 1 0.72022100 0.68770131 0.34481838 1.0
Ni Ni62 1 0.22117090 0.68926759 0.84263572 1.0
Ni Ni63 1 0.71928967 0.18687182 0.09383851 1.0
Ni Ni64 1 0.21653975 0.18874724 0.59471301 1.0
Ni Ni65 1 0.71928967 0.43857935 0.09383851 1.0
Ni Ni66 1 0.21653975 0.43307950 0.59471301 1.0
Ni Ni67 1 0.59474110 0.18948221 0.21577669 1.0
Ni Ni68 1 0.09315160 0.18630320 0.72054520 1.0
Ni Ni69 1 0.46758215 0.18687182 0.09383851 1.0
Ni Ni70 1 0.97220750 0.18874724 0.59471301 1.0
Ni Ni71 1 0.71947115 0.68732898 0.09419166 1.0
Ni Ni72 1 0.20986440 0.67364572 0.59549114 1.0
Ni Ni73 1 0.21847936 0.18633719 0.09419166 1.0
Ni Ni74 1 0.73086314 0.19464446 0.59549114 1.0
Ni Ni75 1 0.47039241 0.19227502 0.33733257 1.0
Ni Ni76 1 0.96901164 0.18744909 0.84353927 1.0
Ni Ni77 1 0.71947115 0.93795050 0.09419166 1.0
Ni Ni78 1 0.20986440 0.94072754 0.59549114 1.0
Ni Ni79 1 0.47039241 0.94078481 0.33733257 1.0
Ni Ni80 1 0.96901164 0.93802329 0.84353927 1.0
Ni Ni81 1 0.21847936 0.93795050 0.09419166 1.0
Ni Ni82 1 0.73086314 0.94072754 0.59549114 1.0
Ni Ni83 1 0.85635256 0.19279519 0.47076217 1.0
Ni Ni84 1 0.34331308 0.18725351 0.96880606 1.0
Ni Ni85 1 0.33644264 0.67288527 0.47076217 1.0
Ni Ni86 1 0.84394043 0.68788086 0.96880606 1.0
Ni Ni87 1 0.33644264 0.19279519 0.47076217 1.0
Ni Ni88 1 0.84394043 0.18725351 0.96880606 1.0
Ni Ni89 1 0.72188262 0.19227502 0.33733257 1.0
Ni Ni90 1 0.21843744 0.18744909 0.84353927 1.0
Ni Ni91 1 0.96785783 0.18633719 0.09419166 1.0
Ni Ni92 1 0.46378132 0.19464446 0.59549114 1.0
Ni Ni93 1 0.96785783 0.68732898 0.09419166 1.0
Ni Ni94 1 0.46378132 0.67364572 0.59549114 1.0