Pu5Pt3

Traditional Materials TRA

MP-ID: mp-669556 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Pu5Pt3

MP-ID

mp-669556

Elements

Sites

Density

15.8360

g/cm³

Volume

378.59

Å³

Cell a

8.5200

Cell b

8.5200

Cell c

6.0223

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
11.99	7.3785	10.0	(1,0,-1,0)
24.12	3.6893	5.3	(2,0,-2,0)
29.67	3.0112	18.3	(0,0,0,2)
32.09	2.7888	30.7	(3,-1,-2,0)
32.11	2.7879	16.4	(1,0,-1,2)
35.47	2.5307	100.0	(3,-1,-2,1)
36.53	2.4595	60.7	(3,0,-3,0)
36.54	2.4589	92.7	(2,-1,-1,2)
38.60	2.3328	6.2	(2,0,-2,2)
44.26	2.0464	2.9	(4,-1,-3,0)
45.15	2.0081	3.0	(4,-2,-2,1)
46.89	1.9376	15.4	(4,-1,-3,1)
49.41	1.8446	2.0	(4,0,-4,0)
52.63	1.7389	22.6	(4,-2,-2,2)
54.19	1.6926	3.9	(4,-1,-3,2)
56.47	1.6296	15.1	(5,-2,-3,1)
56.48	1.6293	27.1	(3,-1,-2,3)
57.21	1.6101	2.4	(5,-4,-1,0)
57.21	1.6101	4.9	(5,-1,-4,0)
58.70	1.5730	5.1	(4,-4,0,2)
58.70	1.5730	10.2	(4,0,-4,2)
61.60	1.5056	11.2	(0,0,0,4)
62.99	1.4757	2.4	(5,0,-5,0)
62.99	1.4756	3.6	(5,-2,-3,2)

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Energy Properties

Formation Energy/atom

-0.28895

eV/atom

Energy/atom

-11.77683

eV/atom

Energy above Hull

0.1243

eV/atom

Uncorrected Energy

-11.7768

eV/atom

Volume/atom

23.66

Å³

c/a Ratio

0.7069

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.2851

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.029810

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pu · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.597

Family

Binary Alloy

Matrix Element

Pu · 0.625

Related Tasks

Related computation task IDs (5)

aaadarim aaadpewi aaadrjtb aaaesklt aaafwups

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669556

Reference Citation

The crystal structure and related material properties of Pu5Pt3 were obtained from the Materials Project database (MP-ID: mp-669556, 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…

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Raw CIF Data

# generated using pymatgen
data_Pu5Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51997853
_cell_length_b   8.51997853
_cell_length_c   6.02231100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu5Pt3
_chemical_formula_sum   'Pu10 Pt6'
_cell_volume   378.59144299
_cell_formula_units_Z   2
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  0.25525800  0.25525800  0.75000000  1.0
  Pu  Pu1  1  0.74474200  0.00000000  0.75000000  1.0
  Pu  Pu2  1  0.00000000  0.25525800  0.25000000  1.0
  Pu  Pu3  1  0.33333300  0.66666700  0.00000000  1.0
  Pu  Pu4  1  0.00000000  0.74474200  0.75000000  1.0
  Pu  Pu5  1  0.66666700  0.33333300  0.00000000  1.0
  Pu  Pu6  1  0.25525800  0.00000000  0.25000000  1.0
  Pu  Pu7  1  0.74474200  0.74474200  0.25000000  1.0
  Pu  Pu8  1  0.33333300  0.66666700  0.50000000  1.0
  Pu  Pu9  1  0.66666700  0.33333300  0.50000000  1.0
  Pt  Pt10  1  0.00000000  0.39138100  0.75000000  1.0
  Pt  Pt11  1  0.39138100  0.00000000  0.75000000  1.0
  Pt  Pt12  1  0.00000000  0.60861900  0.25000000  1.0
  Pt  Pt13  1  0.60861900  0.60861900  0.75000000  1.0
  Pt  Pt14  1  0.39138100  0.39138100  0.25000000  1.0
  Pt  Pt15  1  0.60861900  0.00000000  0.25000000  1.0

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