UInPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078582 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

UInPt

MP-ID

mp-1078582

Elements

Sites

Density

13.6187

g/cm³

Volume

200.43

Å³

Cell a

7.4852

Cell b

7.4858

Cell c

4.1304

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

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
13.66	6.4827	1.0	(1,-1,0,0)
21.51	4.1304	3.1	(0,0,0,1)
23.77	3.7429	9.9	(1,-2,1,0)
23.77	3.7427	9.9	(1,1,-2,0)
23.77	3.7426	9.8	(2,-1,-1,0)
25.57	3.4835	2.3	(0,1,-1,1)
25.57	3.4835	2.3	(1,-1,0,1)
25.57	3.4834	2.3	(1,0,-1,1)
27.52	3.2414	11.7	(0,2,-2,0)
27.52	3.2413	11.7	(2,-2,0,0)
27.52	3.2411	11.7	(2,0,-2,0)
32.28	2.7735	75.9	(1,-2,1,1)
32.28	2.7734	76.0	(1,1,-2,1)
32.28	2.7734	75.9	(2,-1,-1,1)
35.20	2.5499	100.0	(0,2,-2,1)
35.20	2.5499	100.0	(2,-2,0,1)
35.20	2.5498	100.0	(2,0,-2,1)
36.68	2.4503	16.6	(1,-3,2,0)
36.68	2.4503	16.6	(2,-3,1,0)
36.68	2.4502	16.6	(1,2,-3,0)
36.68	2.4502	16.6	(3,-2,-1,0)
36.68	2.4501	16.6	(2,1,-3,0)
36.68	2.4501	16.6	(3,-1,-2,0)
41.80	2.1609	28.0	(0,3,-3,0)

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Energy Properties

Formation Energy/atom

-0.44747

eV/atom

Energy/atom

-7.15471

eV/atom

Energy above Hull

0.0087

eV/atom

Uncorrected Energy

-52.0876

eV/atom

Volume/atom

22.27

Å³

c/a Ratio

0.5518

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.7778

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.038810

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

5.0421

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.626%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3682

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.340

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.424

Family

U-rich Multi-Component

Matrix Element

U · 0.333

Related Tasks

Related computation task IDs (5)

aaadnani aaadsnrh aaaekqbt aaaeubbt aaafxdbp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078582

Reference Citation

The crystal structure and related material properties of UInPt were obtained from the Materials Project database (MP-ID: mp-1078582, 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_UInPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48521048
_cell_length_b   7.48575613
_cell_length_c   4.13043351
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00157289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UInPt
_chemical_formula_sum   'U3 In3 Pt3'
_cell_volume   200.42831489
_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  -0.00002213  0.41723433  0.50000000  1.0
  U  U1  1  0.58276932  0.58276882  0.50000000  1.0
  U  U2  1  0.41722120  0.99997697  0.50000000  1.0
  In  In3  1  0.00006421  0.75164183  -0.00000000  1.0
  In  In4  1  0.24846319  0.24839046  -0.00000000  1.0
  In  In5  1  0.75149910  -0.00001006  -0.00000000  1.0
  Pt  Pt6  1  0.33329060  0.66667095  -0.00000000  1.0
  Pt  Pt7  1  0.66668153  0.33328999  -0.00000000  1.0
  Pt  Pt8  1  0.00003398  0.00003771  0.50000000  1.0

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