LiEu2Ge3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-637249 · Space group: Pnnm (#58)

Materials Project API

Basic Information

Formula

LiEu2Ge3

MP-ID

mp-637249

Elements

Sites

Density

6.1529

g/cm³

Volume

570.84

Å³

Cell a

4.4826

Cell b

10.9599

Cell c

11.6193

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnnm

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
11.10	7.9727	4.7	(0,1,1)
15.25	5.8097	29.8	(0,0,2)
16.17	5.4799	2.5	(0,2,0)
17.90	4.9564	22.4	(0,2,1)
21.24	4.1822	4.4	(1,0,1)
21.42	4.1490	16.0	(1,1,0)
22.30	3.9864	4.6	(0,2,2)
22.76	3.9073	17.5	(1,1,1)
24.37	3.6518	11.3	(0,1,3)
25.56	3.4851	11.9	(0,3,1)
26.40	3.3764	30.3	(1,1,2)
26.82	3.3246	2.8	(1,2,1)
28.21	3.1629	5.3	(0,2,3)
28.87	3.0927	5.5	(0,3,2)
30.00	2.9788	100.0	(1,2,2)
30.50	2.9307	3.9	(1,0,3)
30.78	2.9048	26.6	(0,0,4)
31.59	2.8319	96.7	(1,3,0)
31.60	2.8312	27.9	(1,1,3)
31.87	2.8079	40.3	(0,1,4)
32.54	2.7514	41.1	(1,3,1)
32.68	2.7400	1.5	(0,4,0)
33.73	2.6576	1.4	(0,3,3)
34.71	2.5843	43.0	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.60859

eV/atom

Energy/atom

-6.66763

eV/atom

Energy above Hull

0.0068

eV/atom

Uncorrected Energy

-6.6676

eV/atom

Volume/atom

23.78

Å³

c/a Ratio

2.5921

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

55.6228

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.097440

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.4658

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.964%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4477

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.911

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.460

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (1)

aaadavpr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-637249

Reference Citation

The crystal structure and related material properties of LiEu2Ge3 were obtained from the Materials Project database (MP-ID: mp-637249, 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_LiEu2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48257400
_cell_length_b   10.95986600
_cell_length_c   11.61931800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiEu2Ge3
_chemical_formula_sum   'Li4 Eu8 Ge12'
_cell_volume   570.83862298
_cell_formula_units_Z   4
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
  Li  Li0  1  0.00000000  0.64093400  0.28218300  1.0
  Li  Li1  1  0.00000000  0.35906600  0.71781700  1.0
  Li  Li2  1  0.50000000  0.85906600  0.78218300  1.0
  Li  Li3  1  0.50000000  0.14093400  0.21781700  1.0
  Eu  Eu4  1  0.50000000  0.55039200  0.85071300  1.0
  Eu  Eu5  1  0.50000000  0.44960800  0.14928700  1.0
  Eu  Eu6  1  0.50000000  0.17826300  0.92939100  1.0
  Eu  Eu7  1  0.00000000  0.67826300  0.57060900  1.0
  Eu  Eu8  1  0.00000000  0.32173700  0.42939100  1.0
  Eu  Eu9  1  0.00000000  0.05039200  0.64928700  1.0
  Eu  Eu10  1  0.00000000  0.94960800  0.35071300  1.0
  Eu  Eu11  1  0.50000000  0.82173700  0.07060900  1.0
  Ge  Ge12  1  0.00000000  0.74437500  0.85919000  1.0
  Ge  Ge13  1  0.50000000  0.88905800  0.54411300  1.0
  Ge  Ge14  1  0.00000000  0.61094200  0.04411300  1.0
  Ge  Ge15  1  0.00000000  0.38905800  0.95588700  1.0
  Ge  Ge16  1  0.50000000  0.24437500  0.64081000  1.0
  Ge  Ge17  1  0.00000000  0.25562500  0.14081000  1.0
  Ge  Ge18  1  0.00000000  0.97083600  0.89697200  1.0
  Ge  Ge19  1  0.50000000  0.47083600  0.60302800  1.0
  Ge  Ge20  1  0.00000000  0.02916400  0.10302800  1.0
  Ge  Ge21  1  0.50000000  0.11094200  0.45588700  1.0
  Ge  Ge22  1  0.50000000  0.75562500  0.35919000  1.0
  Ge  Ge23  1  0.50000000  0.52916400  0.39697200  1.0

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