EuNiGe3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-974769 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

EuNiGe3

MP-ID

mp-974769

Elements

Sites

Density

7.7309

g/cm³

Volume

92.06

Å³

Cell a

5.7840

Cell b

5.7840

Cell c

5.7840

α Angle

136.02

β Angle

136.02

γ Angle

63.95

Space Group

I4mm

Point Group

4mm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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
22.44	3.9627	7.9	(1,0,0)
29.16	3.0629	15.7	(0,0,1)
34.36	2.6103	49.8	(2,1,-1)
34.52	2.5982	100.0	(1,1,0)
36.63	2.4532	12.2	(2,2,-2)
41.70	2.1658	57.5	(1,-1,1)
47.48	1.9148	8.9	(2,2,-1)
47.86	1.9004	2.3	(1,0,1)
51.09	1.7877	16.9	(3,2,-2)
55.10	1.6668	25.1	(2,1,0)
56.70	1.6236	13.7	(3,1,-1)
60.45	1.5314	18.7	(0,0,2)
64.60	1.4427	12.7	(3,3,-2)
68.00	1.3787	14.2	(3,2,-1)
68.50	1.3698	2.6	(1,-1,2)
70.62	1.3337	4.0	(4,3,-3)
71.41	1.3209	5.7	(3,0,0)
71.51	1.3193	23.7	(2,0,1)
72.80	1.2991	6.5	(2,2,0)
77.88	1.2266	2.1	(4,4,-4)
80.27	1.1960	3.5	(3,1,0)
83.04	1.1630	4.1	(4,1,-1)
85.50	1.1357	4.9	(4,3,-2)
86.26	1.1277	7.0	(2,1,1)

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Energy Properties

Formation Energy/atom

-0.52206

eV/atom

Energy/atom

-6.50952

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.9568

eV/atom

Volume/atom

18.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.8120

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.074000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

15.4239

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.619%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3164

smaller = more stable mixing

VEC

5.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.662

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.600

Related Tasks

Related computation task IDs (5)

aaadmqbn aaadsqkc aaaemtdg aaaeuizh aaafcayq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974769

Reference Citation

The crystal structure and related material properties of EuNiGe3 were obtained from the Materials Project database (MP-ID: mp-974769, 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_EuNiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78399439
_cell_length_b   5.78399439
_cell_length_c   5.78399439
_cell_angle_alpha   136.02053060
_cell_angle_beta   136.02053060
_cell_angle_gamma   63.94859619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuNiGe3
_chemical_formula_sum   'Eu1 Ni1 Ge3'
_cell_volume   92.05583106
_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
  Eu  Eu0  1  0.00163299  0.00163299  -0.00000000  1.0
  Ni  Ni1  1  0.34593768  0.34593768  -0.00000000  1.0
  Ge  Ge2  1  0.24737291  0.74737291  0.50000000  1.0
  Ge  Ge3  1  0.74737291  0.24737291  0.50000000  1.0
  Ge  Ge4  1  0.58318451  0.58318451  0.00000000  1.0

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