Pr5O9
传统材料 TRAMP-ID: mp-559956 · 空间群: P2_1/c (#14)
基础信息
化学式
Pr5O9
MP-ID
mp-559956
元素数
2
位点数
112
密度
6.0693
g/cm³
体积
1,857.25
ų
晶胞参数 a
20.2986
Å
晶胞参数 b
6.9485
Å
晶胞参数 c
13.4152
Å
α 角
78.98
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-3.25428
eV/atom
能量/原子
-8.14779
eV/atom
凸包距离
0.0754
eV/atom
未修正能量
-7.7061
eV/atom
体积/原子
16.58
ų
c/a 比
0.6609
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
0.4105
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000220
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
O · 0.643
元素家族
N/A
溶质分数
0.357
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.559
家族
Binary Alloy
基质元素
O · 0.643
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-559956
参考引用
The crystal structure and related material properties of Pr5O9 were obtained from the Materials Project database (MP-ID: mp-559956, 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_Pr5O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 20.29862900
_cell_length_b 6.94847300
_cell_length_c 13.41515998
_cell_angle_alpha 78.98110860
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr5O9
_chemical_formula_sum 'Pr40 O72'
_cell_volume 1857.25122789
_cell_formula_units_Z 8
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 0.10559700 0.87083300 0.87708800 1.0
Pr Pr1 1 0.50597400 0.12156000 0.12980300 1.0
Pr Pr2 1 0.39787200 0.08967500 0.61876900 1.0
Pr Pr3 1 0.89787200 0.91032500 0.88123100 1.0
Pr Pr4 1 0.70457300 0.61600800 0.62115000 1.0
Pr Pr5 1 0.50895900 0.63908400 0.61694900 1.0
Pr Pr6 1 0.60212800 0.91032500 0.38123100 1.0
Pr Pr7 1 0.80165500 0.11539700 0.64295100 1.0
Pr Pr8 1 0.99104100 0.63908400 0.11694900 1.0
Pr Pr9 1 0.39440300 0.87083300 0.37708800 1.0
Pr Pr10 1 0.80003500 0.83634200 0.36908000 1.0
Pr Pr11 1 0.00895900 0.36091600 0.88305100 1.0
Pr Pr12 1 0.58788800 0.38710200 0.86564000 1.0
Pr Pr13 1 0.91211200 0.38710200 0.36564000 1.0
Pr Pr14 1 0.10212800 0.08967500 0.11876900 1.0
Pr Pr15 1 0.49402600 0.87844000 0.87019700 1.0
Pr Pr16 1 0.30003500 0.16365800 0.13092000 1.0
Pr Pr17 1 0.39838200 0.36710600 0.89301600 1.0
Pr Pr18 1 0.00597400 0.87844000 0.37019700 1.0
Pr Pr19 1 0.79542700 0.61600800 0.12115000 1.0
Pr Pr20 1 0.10161800 0.36710600 0.39301600 1.0
Pr Pr21 1 0.69834500 0.11539700 0.14295100 1.0
Pr Pr22 1 0.89440300 0.12916700 0.12291200 1.0
Pr Pr23 1 0.19834500 0.88460300 0.35704900 1.0
Pr Pr24 1 0.41211200 0.61289800 0.13436000 1.0
Pr Pr25 1 0.60161800 0.63289400 0.10698400 1.0
Pr Pr26 1 0.49104100 0.36091600 0.38305100 1.0
Pr Pr27 1 0.30165500 0.88460300 0.85704900 1.0
Pr Pr28 1 0.60559700 0.12916700 0.62291200 1.0
Pr Pr29 1 0.89838200 0.63289400 0.60698400 1.0
Pr Pr30 1 0.19973000 0.62798300 0.12306300 1.0
Pr Pr31 1 0.19996500 0.16365800 0.63092000 1.0
Pr Pr32 1 0.08788800 0.61289800 0.63436000 1.0
Pr Pr33 1 0.30027000 0.62798300 0.62306300 1.0
Pr Pr34 1 0.69996500 0.83634200 0.86908000 1.0
Pr Pr35 1 0.20457300 0.38399200 0.87885000 1.0
Pr Pr36 1 0.80027000 0.37201700 0.87693700 1.0
Pr Pr37 1 0.29542700 0.38399200 0.37885000 1.0
Pr Pr38 1 0.99402600 0.12156000 0.62980300 1.0
Pr Pr39 1 0.69973000 0.37201700 0.37693700 1.0
O O40 1 0.60531300 0.82104000 0.56231000 1.0
O O41 1 0.39176500 0.93002500 0.18023700 1.0
O O42 1 0.29063100 0.93259900 0.67449300 1.0
O O43 1 0.50412400 0.94840900 0.68447100 1.0
O O44 1 0.99808500 0.82088700 0.56075200 1.0
O O45 1 0.48940800 0.31861000 0.57410000 1.0
O O46 1 0.10360700 0.56476700 0.81802700 1.0
O O47 1 0.09702200 0.77743100 0.06612400 1.0
O O48 1 0.50191500 0.82088700 0.06075200 1.0
O O49 1 0.19747700 0.48011800 0.67979800 1.0
O O50 1 0.18967500 0.54942400 0.30542800 1.0
O O51 1 0.70936900 0.06740100 0.32550700 1.0
O O52 1 0.99587600 0.94840900 0.18447100 1.0
O O53 1 0.29849700 0.07922500 0.31188600 1.0
O O54 1 0.39416400 0.70350500 0.94892500 1.0
O O55 1 0.19281100 0.32324600 0.07174700 1.0
O O56 1 0.79957000 0.83929600 0.54786600 1.0
O O57 1 0.10823500 0.93002500 0.68023700 1.0
O O58 1 0.71300000 0.30062200 0.55776300 1.0
O O59 1 0.79063100 0.06740100 0.82550700 1.0
O O60 1 0.09380100 0.30676600 0.57402600 1.0
O O61 1 0.39639300 0.56476700 0.31802700 1.0
O O62 1 0.90297800 0.22256900 0.93387600 1.0
O O63 1 0.29957000 0.16070400 0.95213400 1.0
O O64 1 0.89416400 0.29649500 0.55107500 1.0
O O65 1 0.21300000 0.69937800 0.94223700 1.0
O O66 1 0.49587600 0.05159100 0.31552900 1.0
O O67 1 0.39699800 0.09490800 0.79862800 1.0
O O68 1 0.81032500 0.45057600 0.69457200 1.0
O O69 1 0.98940800 0.68139000 0.92590000 1.0
O O70 1 0.10583600 0.70350500 0.44892500 1.0
O O71 1 0.01204700 0.55694200 0.29975500 1.0
O O72 1 0.30718900 0.32324600 0.57174700 1.0
O O73 1 0.39468700 0.17896000 0.43769000 1.0
O O74 1 0.89176500 0.06997500 0.31976300 1.0
O O75 1 0.78700000 0.30062200 0.05776300 1.0
O O76 1 0.10300200 0.09490800 0.29862800 1.0
O O77 1 0.80718900 0.67675400 0.92825300 1.0
O O78 1 0.98795300 0.44305800 0.70024500 1.0
O O79 1 0.49808500 0.17911300 0.93924800 1.0
O O80 1 0.68967500 0.45057600 0.19457200 1.0
O O81 1 0.00412400 0.05159100 0.81552900 1.0
O O82 1 0.00191500 0.17911300 0.43924800 1.0
O O83 1 0.60360700 0.43523300 0.68197300 1.0
O O84 1 0.51204700 0.44305800 0.20024500 1.0
O O85 1 0.89639300 0.43523300 0.18197300 1.0
O O86 1 0.20043000 0.16070400 0.45213400 1.0
O O87 1 0.80252300 0.51988200 0.32020200 1.0
O O88 1 0.31032500 0.54942400 0.80542800 1.0
O O89 1 0.59702200 0.22256900 0.43387600 1.0
O O90 1 0.60583600 0.29649500 0.05107500 1.0
O O91 1 0.51059200 0.68139000 0.42590000 1.0
O O92 1 0.60300200 0.90509200 0.20137200 1.0
O O93 1 0.40619900 0.30676600 0.07402600 1.0
O O94 1 0.10531300 0.17896000 0.93769000 1.0
O O95 1 0.70150300 0.92077500 0.68811400 1.0
O O96 1 0.60823500 0.06997500 0.81976300 1.0
O O97 1 0.69747700 0.51988200 0.82020200 1.0
O O98 1 0.90619900 0.69323400 0.42597400 1.0
O O99 1 0.89468700 0.82104000 0.06231000 1.0
O O100 1 0.01059200 0.31861000 0.07410000 1.0
O O101 1 0.40297800 0.77743100 0.56612400 1.0
O O102 1 0.20150300 0.07922500 0.81188600 1.0
O O103 1 0.28700000 0.69937800 0.44223700 1.0
O O104 1 0.89699800 0.90509200 0.70137200 1.0
O O105 1 0.59380100 0.69323400 0.92597400 1.0
O O106 1 0.79849700 0.92077500 0.18811400 1.0
O O107 1 0.30252300 0.48011800 0.17979800 1.0
O O108 1 0.48795300 0.55694200 0.79975500 1.0
O O109 1 0.20936900 0.93259900 0.17449300 1.0
O O110 1 0.69281100 0.67675400 0.42825300 1.0
O O111 1 0.70043000 0.83929600 0.04786600 1.0