LiEu2Ga5Ni4

High-Entropy Materials HEA

MP-ID: mp-3293098 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LiEu2Ga5Ni4

MP-ID

mp-3293098

Elements

Sites

Density

7.5443

g/cm³

Volume

196.83

Å³

Cell a

6.3192

Cell b

6.3192

Cell c

5.0926

α Angle

90.00

β Angle

90.00

γ Angle

104.56

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
14.48	6.1163	3.7	(1,0,0)
17.41	5.0926	2.7	(0,0,1)
17.74	4.9985	2.6	(1,-1,0)
22.72	3.9136	22.1	(1,0,1)
23.00	3.8662	1.7	(1,1,0)
24.96	3.5673	2.4	(1,-1,1)
29.00	3.0793	20.0	(1,1,1)
29.18	3.0603	18.4	(2,-1,0)
29.20	3.0582	2.2	(2,0,0)
34.18	2.6231	100.0	(2,-1,1)
34.20	2.6218	65.5	(2,0,1)
35.25	2.5463	16.6	(0,0,2)
35.93	2.4993	27.4	(2,-2,0)
35.98	2.4958	38.1	(2,1,0)
38.29	2.3507	9.9	(1,0,2)
39.73	2.2689	20.9	(1,-1,2)
40.24	2.2412	2.7	(2,1,1)
42.51	2.1265	39.6	(1,1,2)
46.39	1.9574	2.7	(2,-1,2)
46.40	1.9568	25.6	(2,0,2)
46.82	1.9405	18.4	(3,-1,1)
46.94	1.9358	1.0	(3,-2,0)
47.01	1.9331	4.2	(2,2,0)
48.07	1.8927	8.8	(3,0,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.49407

eV/atom

Energy/atom

-15.87484

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.8748

eV/atom

Volume/atom

16.40

Å³

c/a Ratio

0.8059

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.3347

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.072830

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.417

Element Family

PostTransition-Noble

Solute Fraction

0.583

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2367

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2818

J/mol·K

Ω Parameter

0.5550

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.937%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3223

smaller = more stable mixing

VEC

5.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.104

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8921

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjlq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293098

Reference Citation

The crystal structure and related material properties of LiEu2Ga5Ni4 were obtained from the Materials Project database (MP-ID: mp-3293098, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LiEu2Ga5Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31923112
_cell_length_b   6.31923084
_cell_length_c   5.09257780
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.55895207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiEu2Ga5Ni4
_chemical_formula_sum   'Li1 Eu2 Ga5 Ni4'
_cell_volume   196.83028218
_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
  Li  Li0  1  0.05593520  0.05593520  0.25000000  1.0
  Eu  Eu1  1  0.65753295  0.65753295  0.25000000  1.0
  Eu  Eu2  1  0.34583582  0.34583582  0.75000000  1.0
  Ga  Ga3  1  0.94995150  0.94995150  0.75000000  1.0
  Ga  Ga4  1  0.07751480  0.46598956  0.25000000  1.0
  Ga  Ga5  1  0.53393205  0.91413772  0.75000000  1.0
  Ga  Ga6  1  0.91413772  0.53393205  0.75000000  1.0
  Ga  Ga7  1  0.46598956  0.07751480  0.25000000  1.0
  Ni  Ni8  1  0.20837523  0.79121046  0.50086735  1.0
  Ni  Ni9  1  0.20837523  0.79121046  0.99913265  1.0
  Ni  Ni10  1  0.79121046  0.20837523  0.50086735  1.0
  Ni  Ni11  1  0.79121046  0.20837523  0.99913265  1.0

Get direct link