UCuGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11833 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

UCuGe

MP-ID

mp-11833

Elements

Sites

Density

10.7126

g/cm³

Volume

58.01

Å³

Cell a

4.1400

Cell b

4.1400

Cell c

3.9080

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

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 16)

2θ	d (Å)	I	hkl
22.75	3.9080	3.1	(0,0,0,1)
24.83	3.5853	28.5	(1,0,-1,0)
33.93	2.6419	100.0	(1,0,-1,1)
43.73	2.0700	38.3	(2,-1,-1,0)
46.47	1.9540	10.7	(0,0,0,2)
49.85	1.8292	2.9	(2,-1,-1,1)
50.94	1.7927	4.5	(2,0,-2,0)
53.40	1.7157	7.9	(1,0,-1,2)
56.48	1.6294	23.7	(2,0,-2,1)
65.71	1.4209	22.9	(2,-1,-1,2)
69.35	1.3551	3.9	(3,-1,-2,0)
71.41	1.3210	3.6	(2,0,-2,2)
74.04	1.2803	21.8	(3,-1,-2,1)
78.05	1.2244	9.5	(1,0,-1,3)
80.34	1.1951	6.6	(3,0,-3,0)
87.63	1.1135	4.7	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.25754

eV/atom

Energy/atom

-35.14448

eV/atom

Energy above Hull

0.0780

eV/atom

Uncorrected Energy

-6.7681

eV/atom

Volume/atom

19.34

Å³

c/a Ratio

0.9440

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9782

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.051340

μB/Å³

Elastic Properties

K_VRH

92.884

GPa

G_VRH

34.780

GPa

Young's Modulus E

92.762

GPa

Poisson Ratio ν

0.334

Pugh Ratio K/G

2.671

Vickers Hardness Est.

2.053

GPa

Ductility

Brittle

Anisotropy

-2.877

Lame λ

69.697

GPa

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

2.2690

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.049%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2748

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.333

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.378

Family

U-rich Multi-Component

Matrix Element

U · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-2.8770

Homogeneous Poisson ν

0.3340

Debye Temperature

314.0

Sound Velocity

2,021.4

m/s

Homogeneity

0.3340

Related Tasks

Related computation task IDs (5)

aaadmipx aaadrgwm aaaefwgh aaaeunoo aaafdjkb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11833

Reference Citation

The crystal structure and related material properties of UCuGe were obtained from the Materials Project database (MP-ID: mp-11833, 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

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Raw CIF Data

# generated using pymatgen
data_UCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13996400
_cell_length_b   4.13996400
_cell_length_c   3.90798600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCuGe
_chemical_formula_sum   'U1 Cu1 Ge1'
_cell_volume   58.00651323
_cell_formula_units_Z   1
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  0.66666700  0.33333300  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge2  1  0.33333300  0.66666700  0.50000000  1.0

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