EuZnGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9873 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuZnGe

MP-ID

mp-9873

Elements

Sites

Density

7.0085

g/cm³

Volume

137.43

Å³

Cell a

4.2801

Cell b

4.2801

Cell c

8.6623

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

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
24.01	3.7067	12.1	(1,-1,0,0)
24.01	3.7067	6.0	(1,0,-1,0)
31.77	2.8162	100.0	(1,-1,0,2)
31.77	2.8162	50.0	(1,0,-1,2)
41.71	2.1656	20.8	(0,0,0,4)
42.23	2.1401	20.0	(1,-2,1,0)
42.23	2.1401	20.0	(1,1,-2,0)
42.23	2.1401	20.0	(2,-1,-1,0)
48.70	1.8699	5.6	(1,0,-1,4)
49.16	1.8533	1.8	(2,0,-2,0)
53.80	1.7039	22.2	(2,-2,0,2)
53.80	1.7039	11.1	(2,0,-2,2)
60.86	1.5222	13.3	(1,-2,1,4)
60.86	1.5222	26.6	(2,-1,-1,4)
66.39	1.4081	1.5	(2,-2,0,4)
66.77	1.4010	1.1	(3,-1,-2,0)
69.93	1.3453	15.1	(1,0,-1,6)
70.67	1.3330	4.9	(1,-3,2,2)
70.67	1.3330	9.8	(2,-3,1,2)
70.67	1.3330	14.6	(3,-1,-2,2)
77.21	1.2356	3.3	(0,3,-3,0)
77.21	1.2356	3.3	(3,-3,0,0)
77.21	1.2356	3.3	(3,0,-3,0)
81.90	1.1763	1.4	(2,-3,1,4)

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Energy Properties

Formation Energy/atom

-0.56733

eV/atom

Energy/atom

-5.95762

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.0983

eV/atom

Volume/atom

22.90

Å³

c/a Ratio

2.0239

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0455

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.102200

μB/Å³

Elastic Properties

K_VRH

52.444

GPa

G_VRH

36.396

GPa

Young's Modulus E

88.675

GPa

Poisson Ratio ν

0.218

Pugh Ratio K/G

1.441

Vickers Hardness Est.

7.682

GPa

Ductility

Ductile

Anisotropy

1.055

Lame λ

28.180

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.333

Element Family

Lanthanide

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

1.3089

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.851%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3314

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.986

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

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0550

Homogeneous Poisson ν

0.2180

Debye Temperature

338.4

Sound Velocity

2,520.8

m/s

Homogeneity

0.2180

Related Tasks

Related computation task IDs (5)

aaadmnac aaadswtb aaaekvqh aaaeukvm aaafxhvm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9873

Reference Citation

The crystal structure and related material properties of EuZnGe were obtained from the Materials Project database (MP-ID: mp-9873, 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_EuZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28010773
_cell_length_b   4.28010877
_cell_length_c   8.66232078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuZnGe
_chemical_formula_sum   'Eu2 Zn2 Ge2'
_cell_volume   137.42773913
_cell_formula_units_Z   2
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
  Eu  Eu0  1  0.00000000  -0.00000000  0.50000000  1.0
  Eu  Eu1  1  0.00000000  -0.00000000  -0.00000000  1.0
  Zn  Zn2  1  0.66666700  0.33333300  0.74989449  1.0
  Zn  Zn3  1  0.33333300  0.66666700  0.25010551  1.0
  Ge  Ge4  1  0.66666700  0.33333300  0.25010029  1.0
  Ge  Ge5  1  0.33333300  0.66666700  0.74989971  1.0

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