Na3Pu

传统材料 TRA

MP-ID: mp-1006151 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Na3Pu

MP-ID

mp-1006151

Elements

Sites

Density

3.5273

g/cm³

Volume

147.34

Å³

Cell a

5.9285

Cell b

5.9285

Cell c

5.9285

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 21)

2θ	d (Å)	I	hkl
18.33	4.8406	99.8	(1,1,1)
21.19	4.1921	53.7	(1,1,0)
30.15	2.9642	100.0	(2,1,1)
35.51	2.5279	60.2	(2,2,1)
37.15	2.4203	17.8	(2,2,2)
43.16	2.0960	18.9	(2,2,0)
47.26	1.9235	27.8	(3,2,2)
48.56	1.8748	25.7	(3,2,1)
53.55	1.7114	40.3	(3,3,2)
57.08	1.6135	21.6	(3,3,3)
62.68	1.4821	12.4	(4,2,2)
65.91	1.4172	21.4	(4,2,1)
66.97	1.3974	12.8	(4,3,3)
71.12	1.3257	17.0	(4,3,1)
74.16	1.2786	7.8	(4,1,0)
75.17	1.2640	7.5	(4,4,2)
79.14	1.2101	4.2	(4,4,4)
82.09	1.1740	12.2	(5,3,3)
83.07	1.1627	5.9	(5,3,2)
86.96	1.1204	20.1	(5,4,3)
89.87	1.0915	15.4	(5,1,1)

Get direct link

Energy Properties

Formation Energy/atom

0.53913

eV/atom

Energy/atom

-23.72309

eV/atom

Energy above Hull

0.5391

eV/atom

Uncorrected Energy

-4.0197

eV/atom

Volume/atom

36.83

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.8372

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.046410

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Na · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

Na · 0.750

Related Tasks

Related computation task IDs (5)

aaadblnw aaadoldp aaadtsdq aaaesoyl aaafbmtb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006151

Reference Citation

The crystal structure and related material properties of Na3Pu were obtained from the Materials Project database (MP-ID: mp-1006151, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Na3Pu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92846528
_cell_length_b   5.92846528
_cell_length_c   5.92846528
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pu
_chemical_formula_sum   'Na3 Pu1'
_cell_volume   147.33700722
_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
  Na  Na0  1  0.25000000  0.25000000  0.25000000  1.0
  Na  Na1  1  0.75000000  0.75000000  0.75000000  1.0
  Na  Na2  1  0.50000000  0.50000000  0.50000000  1.0
  Pu  Pu3  1  0.00000000  0.00000000  0.00000000  1.0

Get direct link