EuZnGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018703 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

EuZnGe

MP-ID

mp-1018703

Elements

Sites

Density

6.6569

g/cm³

Volume

144.68

Å³

Cell a

4.4372

Cell b

4.4372

Cell c

8.4856

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

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 23)

2θ	d (Å)	I	hkl
23.15	3.8427	4.2	(1,-1,0,0)
23.15	3.8427	8.5	(1,0,-1,0)
31.41	2.8482	100.0	(1,0,-1,2)
40.67	2.2186	43.3	(2,-1,-1,0)
42.62	2.1214	12.6	(0,0,0,4)
47.31	1.9214	2.0	(2,0,-2,0)
49.05	1.8572	3.6	(1,0,-1,4)
52.27	1.7503	7.8	(2,-2,0,2)
52.27	1.7503	15.7	(2,0,-2,2)
60.37	1.5333	17.6	(2,-1,-1,4)
60.37	1.5333	8.8	(1,1,-2,4)
64.12	1.4524	1.7	(3,-1,-2,0)
65.55	1.4241	1.6	(2,0,-2,4)
68.25	1.3741	7.0	(3,-2,-1,2)
68.25	1.3741	14.0	(3,-1,-2,2)
71.02	1.3272	9.3	(1,0,-1,6)
74.01	1.2809	7.2	(3,0,-3,0)
80.07	1.1984	1.9	(3,-1,-2,4)
85.20	1.1390	1.9	(2,-2,0,6)
85.20	1.1390	3.9	(2,0,-2,6)
88.05	1.1093	4.7	(4,-2,-2,0)
89.35	1.0965	3.0	(3,-3,0,4)
89.35	1.0965	6.1	(3,0,-3,4)

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Energy Properties

Formation Energy/atom

-0.37865

eV/atom

Energy/atom

-5.76895

eV/atom

Energy above Hull

0.1887

eV/atom

Uncorrected Energy

-5.7690

eV/atom

Volume/atom

24.11

Å³

c/a Ratio

1.9124

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.1832

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.098030

μB/Å³

Elastic Properties

K_VRH

49.740

GPa

G_VRH

6.449

GPa

Young's Modulus E

18.545

GPa

Poisson Ratio ν

0.438

Pugh Ratio K/G

7.713

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

-61.257

Lame λ

45.441

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

0.304

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-61.2570

Homogeneous Poisson ν

0.4380

Debye Temperature

147.8

Sound Velocity

1,119.9

m/s

Homogeneity

0.4380

Related Tasks

Related computation task IDs (5)

aaadonpv aaadvzry aaaefqgb aaaeppbb aaafbncl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018703

Reference Citation

The crystal structure and related material properties of EuZnGe were obtained from the Materials Project database (MP-ID: mp-1018703, 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   4.43717228
_cell_length_b   4.43717228
_cell_length_c   8.48554800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuZnGe
_chemical_formula_sum   'Eu2 Zn2 Ge2'
_cell_volume   144.68486077
_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  0.75086500  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.24913500  1.0
  Zn  Zn2  1  0.66666700  0.33333300  0.00000000  1.0
  Zn  Zn3  1  0.33333300  0.66666700  0.00000000  1.0
  Ge  Ge4  1  0.66666700  0.33333300  0.50000000  1.0
  Ge  Ge5  1  0.33333300  0.66666700  0.50000000  1.0

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