La8Mg(CdAu4)5

High-Entropy Materials HEA

MP-ID: mp-3292119 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

La8Mg(CdAu4)5

MP-ID

mp-3292119

Elements

Sites

Density

12.3341

g/cm³

Volume

758.90

Å³

Cell a

8.8064

Cell b

8.8064

Cell c

10.3398

α Angle

89.92

β Angle

89.92

γ Angle

108.84

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
17.15	5.1699	1.3	(0,0,2)
17.31	5.1237	1.3	(1,1,0)
19.32	4.5951	1.9	(1,1,1)
19.35	4.5868	3.2	(1,1,-1)
20.20	4.3970	3.9	(1,0,2)
20.23	4.3897	1.5	(1,0,-2)
22.26	3.9938	13.2	(2,-1,1)
22.27	3.9911	6.6	(2,-1,-1)
22.27	3.9911	6.6	(1,-2,1)
23.03	3.8626	1.2	(2,0,-1)
24.43	3.6434	7.4	(1,1,2)
24.49	3.6351	7.1	(1,1,-2)
24.86	3.5812	7.0	(2,-2,0)
28.19	3.1654	1.0	(2,1,1)
28.23	3.1613	1.2	(2,1,-1)
30.36	2.9439	2.7	(2,-2,2)
30.45	2.9353	2.0	(3,-1,0)
31.68	2.8247	2.0	(3,-1,1)
31.99	2.7980	3.2	(2,1,2)
33.21	2.6974	18.2	(2,-1,3)
33.25	2.6949	19.6	(2,-1,-3)
33.38	2.6842	21.2	(3,0,1)
33.41	2.6817	18.6	(3,0,-1)
33.61	2.6663	15.5	(3,-2,1)

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Energy Properties

Formation Energy/atom

-0.78502

eV/atom

Energy/atom

-40.61889

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.6189

eV/atom

Volume/atom

22.32

Å³

c/a Ratio

1.1741

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0025

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

Au · 0.588

Element Family

5d-TM

Solute Fraction

0.412

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0382

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6316

J/mol·K

Ω Parameter

0.2290

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.386%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6234

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-44.533

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7489

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhzz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292119

Reference Citation

The crystal structure and related material properties of La8Mg(CdAu4)5 were obtained from the Materials Project database (MP-ID: mp-3292119, 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_La8Mg(CdAu4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80639042
_cell_length_b   8.80639066
_cell_length_c   10.33983870
_cell_angle_alpha   89.92408737
_cell_angle_beta   89.92409065
_cell_angle_gamma   108.84374816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8Mg(CdAu4)5
_chemical_formula_sum   'La8 Mg1 Cd5 Au20'
_cell_volume   758.90006752
_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  0.70072324  0.29927676  0.00000000  1.0
  La  La1  1  0.29927676  0.70072324  1.00000000  1.0
  La  La2  1  0.79766305  0.20233695  0.50000000  1.0
  La  La3  1  0.20233695  0.79766305  0.50000000  1.0
  La  La4  1  0.29853925  0.29853925  0.20253884  1.0
  La  La5  1  0.70146075  0.70146075  0.79746116  1.0
  La  La6  1  0.19832964  0.19832964  0.70547053  1.0
  La  La7  1  0.80167036  0.80167036  0.29452947  1.0
  Mg  Mg8  1  0.50000000  0.50000000  0.50000000  1.0
  Cd  Cd9  1  0.01488240  0.51578732  0.25229806  1.0
  Cd  Cd10  1  0.98511760  0.48421268  0.74770194  1.0
  Cd  Cd11  1  0.48421268  0.98511760  0.74770194  1.0
  Cd  Cd12  1  0.51578732  0.01488240  0.25229806  1.0
  Cd  Cd13  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au14  1  0.09553281  0.09553281  0.40564721  1.0
  Au  Au15  1  0.90446719  0.90446719  0.59435279  1.0
  Au  Au16  1  0.40443137  0.40443137  0.90547521  1.0
  Au  Au17  1  0.59556863  0.59556863  0.09452479  1.0
  Au  Au18  1  0.88768540  0.16703440  0.20666770  1.0
  Au  Au19  1  0.11231460  0.83296560  0.79333230  1.0
  Au  Au20  1  0.60814798  0.33834013  0.70275329  1.0
  Au  Au21  1  0.66165987  0.39185202  0.29724671  1.0
  Au  Au22  1  0.39185202  0.66165987  0.29724671  1.0
  Au  Au23  1  0.33834013  0.60814798  0.70275329  1.0
  Au  Au24  1  0.83296560  0.11231460  0.79333230  1.0
  Au  Au25  1  0.16703440  0.88768540  0.20666770  1.0
  Au  Au26  1  0.93288147  0.65734542  0.02122646  1.0
  Au  Au27  1  0.06711853  0.34265458  0.97877354  1.0
  Au  Au28  1  0.56778410  0.83422367  0.52182956  1.0
  Au  Au29  1  0.16577633  0.43221590  0.47817044  1.0
  Au  Au30  1  0.43221590  0.16577633  0.47817044  1.0
  Au  Au31  1  0.83422367  0.56778410  0.52182956  1.0
  Au  Au32  1  0.34265458  0.06711853  0.97877354  1.0
  Au  Au33  1  0.65734542  0.93288147  0.02122646  1.0

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