UGePt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-983608 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

UGePt

MP-ID

mp-983608

Elements

Sites

Density

13.9519

g/cm³

Volume

240.78

Å³

Cell a

4.3973

Cell b

7.1928

Cell c

7.6126

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
23.36	3.8077	8.4	(1,0,1)
23.37	3.8063	3.3	(0,0,2)
26.49	3.3652	18.9	(1,1,1)
26.49	3.3643	6.8	(0,1,2)
33.54	2.6720	18.3	(1,1,2)
34.30	2.6146	100.0	(1,2,1)
34.30	2.6141	45.6	(0,2,2)
37.59	2.3930	5.3	(0,1,3)
39.40	2.2869	10.4	(0,3,1)
41.05	2.1986	32.4	(2,0,0)
41.07	2.1978	54.7	(1,0,3)
44.66	2.0289	4.2	(1,3,1)
44.67	2.0287	3.0	(0,3,2)
47.77	1.9038	1.1	(2,0,2)
49.48	1.8421	1.1	(1,3,2)
49.53	1.8405	2.6	(2,1,2)
49.54	1.8398	2.4	(0,1,4)
50.77	1.7982	10.3	(0,4,0)
52.51	1.7427	2.3	(0,3,3)
54.03	1.6973	3.0	(1,1,4)
54.54	1.6826	24.9	(2,2,2)
54.55	1.6821	9.1	(0,2,4)
55.18	1.6644	1.4	(1,4,0)
56.60	1.6260	4.2	(1,4,1)

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Energy Properties

Formation Energy/atom

-0.86261

eV/atom

Energy/atom

-49.29652

eV/atom

Energy above Hull

0.0080

eV/atom

Uncorrected Energy

-49.2965

eV/atom

Volume/atom

20.06

Å³

c/a Ratio

1.7312

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.1142

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.037850

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

3.6396

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.392%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3771

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.896

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)

aaadnahq aaadsybh aaaetphh aaafsdtg aaagaaes

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983608

Reference Citation

The crystal structure and related material properties of UGePt were obtained from the Materials Project database (MP-ID: mp-983608, 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_UGePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39725344
_cell_length_b   7.19282923
_cell_length_c   7.61258787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UGePt
_chemical_formula_sum   'U4 Ge4 Pt4'
_cell_volume   240.77620525
_cell_formula_units_Z   4
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  0.75000000  0.99039831  0.21838814  1.0
  U  U1  1  0.75000000  0.49039831  0.28161186  1.0
  U  U2  1  0.25000000  0.50960169  0.71838814  1.0
  U  U3  1  0.25000000  0.00960169  0.78161186  1.0
  Ge  Ge4  1  0.25000000  0.69545410  0.09051922  1.0
  Ge  Ge5  1  0.25000000  0.19545410  0.40948078  1.0
  Ge  Ge6  1  0.75000000  0.80454590  0.59051922  1.0
  Ge  Ge7  1  0.75000000  0.30454590  0.90948078  1.0
  Pt  Pt8  1  0.25000000  0.27983989  0.08164980  1.0
  Pt  Pt9  1  0.25000000  0.77983989  0.41835020  1.0
  Pt  Pt10  1  0.75000000  0.22016011  0.58164980  1.0
  Pt  Pt11  1  0.75000000  0.72016011  0.91835020  1.0

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