UAlPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079949 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

UAlPt

MP-ID

mp-1079949

Elements

Sites

Density

12.8495

g/cm³

Volume

178.37

Å³

Cell a

7.0620

Cell b

7.0620

Cell c

4.1300

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
14.48	6.1159	11.6	(1,0,-1,0)
14.48	6.1159	11.6	(0,1,-1,0)
14.48	6.1158	11.6	(1,-1,0,0)
21.52	4.1300	34.7	(0,0,0,1)
25.22	3.5310	27.0	(1,1,-2,0)
25.22	3.5310	27.0	(2,-1,-1,0)
25.22	3.5310	27.0	(1,-2,1,0)
26.03	3.4227	7.4	(1,0,-1,1)
26.03	3.4227	7.4	(0,1,-1,1)
26.03	3.4227	7.4	(1,-1,0,1)
29.20	3.0579	25.4	(2,0,-2,0)
29.20	3.0579	25.4	(0,2,-2,0)
29.20	3.0579	25.4	(2,-2,0,0)
33.39	2.6838	52.6	(1,1,-2,1)
33.39	2.6838	52.6	(2,-1,-1,1)
33.39	2.6838	52.6	(1,-2,1,1)
36.56	2.4576	100.0	(2,0,-2,1)
36.56	2.4576	100.0	(0,2,-2,1)
36.56	2.4576	100.0	(2,-2,0,1)
38.96	2.3116	7.2	(2,1,-3,0)
38.96	2.3116	7.2	(1,2,-3,0)
38.96	2.3116	7.2	(3,-1,-2,0)
38.96	2.3116	7.2	(3,-2,-1,0)
38.96	2.3116	7.2	(1,-3,2,0)

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Energy Properties

Formation Energy/atom

-0.90341

eV/atom

Energy/atom

-46.95736

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.9574

eV/atom

Volume/atom

19.82

Å³

c/a Ratio

0.5848

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.2487

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.040640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

U · 0.333

Element Family

Actinide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.6667

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.576%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3818

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.000

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

U-rich Multi-Component

Matrix Element

U · 0.333

Related Tasks

Related computation task IDs (5)

aaadmtjl aaadslnu aaaekqgd aaaeunth aaafjgoa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079949

Reference Citation

The crystal structure and related material properties of UAlPt were obtained from the Materials Project database (MP-ID: mp-1079949, 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_UAlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06198643
_cell_length_b   7.06195969
_cell_length_c   4.12997763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99960034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UAlPt
_chemical_formula_sum   'U3 Al3 Pt3'
_cell_volume   178.37426348
_cell_formula_units_Z   3
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
  U  U0  1  0.43135680  0.43136690  0.50000000  1.0
  U  U1  1  0.56864296  0.00000634  0.50000000  1.0
  U  U2  1  -0.00000678  0.56863543  0.50000000  1.0
  Al  Al3  1  0.76796901  0.76796181  0.00000000  1.0
  Al  Al4  1  0.23203581  -0.00001364  0.00000000  1.0
  Al  Al5  1  0.00001081  0.23204453  -0.00000000  1.0
  Pt  Pt6  1  0.66666544  0.33333821  0.00000000  1.0
  Pt  Pt7  1  0.33332896  0.66666467  0.00000000  1.0
  Pt  Pt8  1  -0.00000399  0.99999576  0.50000000  1.0

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