USnPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080562 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

USnPt

MP-ID

mp-1080562

Elements

Sites

Density

13.6956

g/cm³

Volume

200.72

Å³

Cell a

7.4619

Cell b

7.4619

Cell c

4.1626

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
23.85	3.7309	9.5	(2,-1,-1,0)
25.45	3.4994	3.1	(1,0,-1,1)
27.61	3.2311	10.1	(2,0,-2,0)
32.22	2.7783	86.1	(2,-1,-1,1)
35.16	2.5524	100.0	(2,0,-2,1)
36.80	2.4425	33.8	(3,-1,-2,0)
41.94	2.1541	34.2	(3,0,-3,0)
42.93	2.1066	24.7	(3,-1,-2,1)
43.48	2.0813	28.1	(0,0,0,2)
48.82	1.8655	7.1	(4,-2,-2,0)
50.19	1.8176	2.6	(2,-1,-1,2)
50.95	1.7923	13.3	(4,-1,-3,0)
52.28	1.7497	3.6	(2,0,-2,2)
53.85	1.7023	2.2	(4,-2,-2,1)
55.85	1.6462	16.8	(4,-1,-3,1)
57.00	1.6155	1.5	(4,0,-4,0)
58.24	1.5842	18.5	(3,-1,-2,2)
62.00	1.4968	22.1	(3,0,-3,2)
62.67	1.4825	1.7	(5,-2,-3,0)
66.28	1.4102	6.2	(5,-1,-4,0)
67.01	1.3966	29.7	(5,-2,-3,1)
67.42	1.3891	5.5	(4,-2,-2,2)
69.17	1.3581	11.2	(4,-1,-3,2)
70.51	1.3356	5.9	(5,-1,-4,1)

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Energy Properties

Formation Energy/atom

-0.49267

eV/atom

Energy/atom

-7.61670

eV/atom

Energy above Hull

0.0168

eV/atom

Uncorrected Energy

-7.6167

eV/atom

Volume/atom

22.30

Å³

c/a Ratio

0.5579

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.6106

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.042900

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

3.1545

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.656%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3725

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.814

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.418

Family

U-rich Multi-Component

Matrix Element

U · 0.333

Related Tasks

Related computation task IDs (5)

aaadndes aaadswcv aaaeacpc aaaetzlo aaafivyd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080562

Reference Citation

The crystal structure and related material properties of USnPt were obtained from the Materials Project database (MP-ID: mp-1080562, 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_USnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46186196
_cell_length_b   7.46186196
_cell_length_c   4.16258900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   USnPt
_chemical_formula_sum   'U3 Sn3 Pt3'
_cell_volume   200.71904699
_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  0.00000000  0.41205200  0.50000000  1.0
  U  U1  1  0.58794800  0.58794800  0.50000000  1.0
  U  U2  1  0.41205200  0.00000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.74560600  0.00000000  1.0
  Sn  Sn4  1  0.25439400  0.25439400  0.00000000  1.0
  Sn  Sn5  1  0.74560600  0.00000000  0.00000000  1.0
  Pt  Pt6  1  0.33333300  0.66666700  0.00000000  1.0
  Pt  Pt7  1  0.66666700  0.33333300  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.00000000  0.50000000  1.0

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