EuZnGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018699 · Space group: Pmmm (#47)

Materials Project API

Basic Information

Formula

EuZnGe

MP-ID

mp-1018699

Elements

Sites

Density

6.8506

g/cm³

Volume

140.60

Å³

Cell a

4.3121

Cell b

4.3437

Cell c

7.5063

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmmm

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
23.71	3.7532	6.0	(0,0,2)
23.80	3.7390	12.3	(1,0,1)
31.50	2.8399	51.0	(0,1,2)
31.57	2.8338	100.0	(1,1,1)
41.58	2.1719	20.7	(0,2,0)
41.74	2.1642	40.9	(1,0,3)
41.90	2.1560	20.2	(2,0,0)
48.42	1.8798	1.8	(0,2,2)
48.47	1.8780	3.8	(1,2,1)
48.71	1.8695	1.8	(2,0,2)
53.17	1.7227	11.2	(0,1,4)
53.35	1.7172	22.7	(2,1,2)
60.38	1.5330	26.9	(1,2,3)
60.51	1.5301	13.4	(2,2,0)
65.93	1.4169	1.5	(2,2,2)
69.60	1.3509	5.1	(0,3,2)
69.64	1.3502	10.0	(1,3,1)
69.78	1.3478	10.2	(1,1,5)
69.89	1.3458	9.8	(2,1,4)
70.09	1.3426	9.8	(3,1,1)
76.08	1.2511	3.4	(0,0,6)
76.42	1.2463	6.7	(3,0,3)
84.52	1.1464	3.0	(0,3,4)
84.67	1.1447	6.1	(2,3,2)

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Energy Properties

Formation Energy/atom

-0.50896

eV/atom

Energy/atom

-5.89925

eV/atom

Energy above Hull

0.0584

eV/atom

Uncorrected Energy

-5.8993

eV/atom

Volume/atom

23.43

Å³

c/a Ratio

1.7408

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.1241

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.100460

μB/Å³

Elastic Properties

K_VRH

46.265

GPa

G_VRH

37.428

GPa

Young's Modulus E

88.436

GPa

Poisson Ratio ν

0.181

Pugh Ratio K/G

1.236

Vickers Hardness Est.

9.991

GPa

Ductility

Ductile

Anisotropy

0.380

Lame λ

21.313

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

0.391

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3800

Homogeneous Poisson ν

0.1810

Debye Temperature

343.1

Sound Velocity

2,575.4

m/s

Homogeneity

0.1810

Related Tasks

Related computation task IDs (5)

aaadonzi aaadwbwj aaaegjbf aaaeqltw aaafblrh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018699

Reference Citation

The crystal structure and related material properties of EuZnGe were obtained from the Materials Project database (MP-ID: mp-1018699, 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   4.31204600
_cell_length_b   4.34370900
_cell_length_c   7.50630700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuZnGe
_chemical_formula_sum   'Eu2 Zn2 Ge2'
_cell_volume   140.59517947
_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  0.00000000  1.0
  Eu  Eu1  1  0.50000000  0.00000000  0.50000000  1.0
  Zn  Zn2  1  0.00000000  0.50000000  0.33350200  1.0
  Zn  Zn3  1  0.00000000  0.50000000  0.66649800  1.0
  Ge  Ge4  1  0.50000000  0.50000000  0.16816300  1.0
  Ge  Ge5  1  0.50000000  0.50000000  0.83183700  1.0

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