La4Ga24CoAu

High-Entropy Materials HEA

MP-ID: mp-3294516 · Space group: P-42m (#111)

Materials Project API

Basic Information

Formula

La4Ga24CoAu

MP-ID

mp-3294516

Elements

Sites

Density

7.1068

g/cm³

Volume

580.60

Å³

Cell a

6.1445

Cell b

6.1445

Cell c

15.3781

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-42m

Point Group

-42m

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
5.75	15.3781	39.2	(0,0,1)
11.51	7.6891	1.1	(0,0,2)
14.42	6.1445	1.8	(1,0,0)
15.53	5.7059	3.6	(1,0,1)
18.48	4.8001	3.7	(1,0,2)
20.44	4.3448	15.2	(1,1,0)
21.25	4.1812	10.6	(1,1,1)
22.59	3.9362	1.6	(1,0,3)
23.52	3.7827	2.0	(1,1,2)
26.90	3.3144	2.6	(1,1,3)
27.36	3.2592	2.5	(1,0,4)
29.03	3.0756	3.9	(0,0,5)
29.07	3.0723	12.2	(2,0,0)
31.06	2.8792	90.0	(1,1,4)
31.35	2.8530	100.0	(2,0,2)
32.56	2.7503	5.8	(1,0,5)
32.59	2.7479	2.9	(2,1,0)
33.12	2.7051	10.4	(2,1,1)
34.02	2.6352	6.6	(2,0,3)
34.67	2.5876	17.8	(2,1,2)
35.01	2.5630	11.3	(0,0,6)
35.77	2.5103	3.3	(1,1,5)
37.12	2.4219	19.0	(2,1,3)
37.47	2.4001	44.4	(2,0,4)

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Energy Properties

Formation Energy/atom

-0.45051

eV/atom

Energy/atom

-15.69801

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.6980

eV/atom

Volume/atom

19.35

Å³

c/a Ratio

2.5027

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.800

Element Family

PostTransition-Noble

Solute Fraction

0.200

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6739

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6029

J/mol·K

Ω Parameter

0.1977

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.378%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2838

smaller = more stable mixing

VEC

3.467

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.310

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4861

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfloe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294516

Reference Citation

The crystal structure and related material properties of La4Ga24CoAu were obtained from the Materials Project database (MP-ID: mp-3294516, 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_La4Ga24CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14452839
_cell_length_b   6.14452839
_cell_length_c   15.37811440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ga24CoAu
_chemical_formula_sum   'La4 Ga24 Co1 Au1'
_cell_volume   580.60423203
_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
  La  La0  1  0.50000000  0.00000000  0.23847231  1.0
  La  La1  1  0.00000000  0.50000000  0.24745288  1.0
  La  La2  1  0.00000000  0.50000000  0.75254712  1.0
  La  La3  1  0.50000000  0.00000000  0.76152769  1.0
  Ga  Ga4  1  0.50000000  0.50000000  0.81620460  1.0
  Ga  Ga5  1  0.00000000  0.00000000  0.81620460  1.0
  Ga  Ga6  1  0.76565900  0.73434100  0.91452095  1.0
  Ga  Ga7  1  0.23492450  0.73492450  0.91476634  1.0
  Ga  Ga8  1  0.00000000  0.00000000  0.34506518  1.0
  Ga  Ga9  1  0.23434100  0.73434100  0.08547905  1.0
  Ga  Ga10  1  0.82450857  0.32450857  0.56744699  1.0
  Ga  Ga11  1  0.50000000  0.50000000  0.34506518  1.0
  Ga  Ga12  1  0.23434100  0.26565900  0.91452095  1.0
  Ga  Ga13  1  0.76507550  0.73492450  0.08523366  1.0
  Ga  Ga14  1  0.33015774  0.16984226  0.56980857  1.0
  Ga  Ga15  1  0.66984226  0.16984226  0.43019143  1.0
  Ga  Ga16  1  0.00000000  0.00000000  0.65493482  1.0
  Ga  Ga17  1  0.17549143  0.32450857  0.43255301  1.0
  Ga  Ga18  1  0.23492450  0.26507550  0.08523366  1.0
  Ga  Ga19  1  0.82450857  0.67549143  0.43255301  1.0
  Ga  Ga20  1  0.66984226  0.83015774  0.56980857  1.0
  Ga  Ga21  1  0.00000000  0.00000000  0.18379540  1.0
  Ga  Ga22  1  0.17549143  0.67549143  0.56744699  1.0
  Ga  Ga23  1  0.50000000  0.50000000  0.65493482  1.0
  Ga  Ga24  1  0.76507550  0.26507550  0.91476634  1.0
  Ga  Ga25  1  0.50000000  0.50000000  0.18379540  1.0
  Ga  Ga26  1  0.33015774  0.83015774  0.43019143  1.0
  Ga  Ga27  1  0.76565900  0.26565900  0.08547905  1.0
  Co  Co28  1  0.00000000  0.50000000  0.00000000  1.0
  Au  Au29  1  0.50000000  0.00000000  0.00000000  1.0

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