Pu
传统材料 TRAMP-ID: mp-1055423 · Space group: P-1 (#2)
Basic Information
Formula
Pu
MP-ID
mp-1055423
Elements
1
Sites
4
Density
22.6470
g/cm³
Volume
71.56
ų
Cell a
3.5278
Å
Cell b
4.5436
Å
Cell c
4.8047
Å
α Angle
69.25
°
β Angle
84.25
°
γ Angle
90.68
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.41 | 3.5055 | 5.0 | (1,0,0) |
| 30.62 | 2.9201 | 86.4 | (1,0,1) |
| 32.29 | 2.7727 | 50.4 | (1,-1,0) |
| 33.77 | 2.6543 | 78.9 | (1,1,1) |
| 33.99 | 2.6375 | 12.5 | (1,1,0) |
| 34.24 | 2.6189 | 61.2 | (1,0,-1) |
| 35.55 | 2.5255 | 44.0 | (1,-1,-1) |
| 40.01 | 2.2537 | 84.8 | (0,2,1) |
| 40.40 | 2.2325 | 100.0 | (0,0,2) |
| 40.72 | 2.2157 | 29.2 | (1,-1,1) |
| 42.61 | 2.1217 | 15.0 | (0,2,0) |
| 44.42 | 2.0394 | 5.7 | (1,1,2) |
| 44.95 | 2.0167 | 37.9 | (1,1,-1) |
| 45.68 | 1.9862 | 1.2 | (1,0,2) |
| 47.41 | 1.9177 | 11.3 | (0,2,2) |
| 47.94 | 1.8978 | 9.3 | (1,2,1) |
| 48.04 | 1.8938 | 1.4 | (1,-2,-1) |
| 48.50 | 1.8771 | 17.3 | (1,-1,-2) |
| 49.04 | 1.8574 | 22.8 | (1,-2,0) |
| 51.47 | 1.7756 | 14.2 | (1,2,0) |
| 52.19 | 1.7528 | 1.1 | (2,0,0) |
| 53.29 | 1.7189 | 13.5 | (1,2,2) |
| 54.08 | 1.6958 | 36.3 | (0,2,-1) |
| 55.71 | 1.6499 | 13.1 | (2,-1,0) |
Energy Properties
Formation Energy/atom
0.08920
eV/atom
Energy/atom
-86.26715
eV/atom
Energy above Hull
0.0892
eV/atom
Uncorrected Energy
-14.1786
eV/atom
Volume/atom
17.89
ų
c/a Ratio
1.3619
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pu · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.513
Family
Pure Metal
Matrix Element
Pu · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1055423
Reference Citation
The crystal structure and related material properties of Pu were obtained from the Materials Project database (MP-ID: mp-1055423, database version v2026.04.13).
Literature Citation
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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Pu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52780334
_cell_length_b 4.54355869
_cell_length_c 4.80465995
_cell_angle_alpha 69.25077658
_cell_angle_beta 84.25068664
_cell_angle_gamma 90.67757982
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu
_chemical_formula_sum Pu4
_cell_volume 71.56280917
_cell_formula_units_Z 4
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
Pu Pu0 1 0.85710600 0.34036100 0.24774800 1.0
Pu Pu1 1 0.58177900 0.84119200 0.25181400 1.0
Pu Pu2 1 0.41854500 0.15879100 0.74830100 1.0
Pu Pu3 1 0.14257300 0.65965700 0.75213700 1.0
