Lu10Cd3Au

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295079 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Lu10Cd3Au

MP-ID

mp-3295079

Elements

Sites

Density

10.2677

g/cm³

Volume

738.72

Å³

Cell a

9.4486

Cell b

9.4486

Cell c

9.5546

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.25	6.2150	21.8	(1,0,-1,1)
14.25	6.2150	10.9	(1,-1,0,1)
18.57	4.7773	1.6	(0,0,0,2)
18.78	4.7243	4.3	(1,1,-2,0)
18.78	4.7243	4.3	(2,-1,-1,0)
18.78	4.7243	4.3	(1,-2,1,0)
21.54	4.1256	19.8	(1,0,-1,2)
21.54	4.1256	9.9	(1,-1,0,2)
23.66	3.7611	4.3	(2,0,-2,1)
23.66	3.7611	4.3	(0,2,-2,1)
23.66	3.7611	4.3	(2,-2,0,1)
28.73	3.1075	20.6	(2,0,-2,2)
28.73	3.1075	20.6	(0,2,-2,2)
28.73	3.1075	20.6	(2,-2,0,2)
28.87	3.0928	13.6	(2,1,-3,0)
28.87	3.0928	13.6	(1,2,-3,0)
28.87	3.0928	13.6	(3,-1,-2,0)
28.87	3.0928	13.6	(1,-3,2,0)
28.87	3.0928	13.6	(3,-2,-1,0)
28.87	3.0928	13.6	(2,-3,1,0)
30.11	2.9680	61.0	(1,0,-1,3)
30.11	2.9680	30.5	(1,-1,0,3)
30.38	2.9425	10.1	(2,1,-3,1)
30.38	2.9425	10.1	(1,2,-3,1)

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Energy Properties

Formation Energy/atom

-0.34477

eV/atom

Energy/atom

-35.46610

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.4661

eV/atom

Volume/atom

26.38

Å³

c/a Ratio

1.0112

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

1.4726

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001990

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

9.4158

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.006%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3469

smaller = more stable mixing

VEC

4.786

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.071

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.609

Family

Lu-rich Multi-Component

Matrix Element

Lu · 0.714

Related Tasks

Related computation task IDs (1)

aaahfmjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295079

Reference Citation

The crystal structure and related material properties of Lu10Cd3Au were obtained from the Materials Project database (MP-ID: mp-3295079, 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_Lu10Cd3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44862438
_cell_length_b   9.44861828
_cell_length_c   9.55456950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99984805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu10Cd3Au
_chemical_formula_sum   'Lu20 Cd6 Au2'
_cell_volume   738.71906805
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.20779445  0.79218657  0.94592688  1.0
  Lu  Lu1  1  0.20779448  0.41560824  0.94592802  1.0
  Lu  Lu2  1  0.58438633  0.79219286  0.94593407  1.0
  Lu  Lu3  1  0.79220555  0.20781343  0.05407312  1.0
  Lu  Lu4  1  0.79220552  0.58439176  0.05407198  1.0
  Lu  Lu5  1  0.41561367  0.20780714  0.05406593  1.0
  Lu  Lu6  1  0.79220555  0.20781343  0.44592688  1.0
  Lu  Lu7  1  0.79220552  0.58439176  0.44592802  1.0
  Lu  Lu8  1  0.41561367  0.20780714  0.44593407  1.0
  Lu  Lu9  1  0.20779445  0.79218657  0.55407312  1.0
  Lu  Lu10  1  0.20779448  0.41560824  0.55407198  1.0
  Lu  Lu11  1  0.58438633  0.79219286  0.55406593  1.0
  Lu  Lu12  1  0.54244359  0.45754661  0.75000000  1.0
  Lu  Lu13  1  0.54244936  0.08490375  0.75000000  1.0
  Lu  Lu14  1  0.91510649  0.45755175  0.75000000  1.0
  Lu  Lu15  1  0.45755641  0.54245339  0.25000000  1.0
  Lu  Lu16  1  0.45755064  0.91509625  0.25000000  1.0
  Lu  Lu17  1  0.08489351  0.54244825  0.25000000  1.0
  Lu  Lu18  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu19  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd20  1  0.88523977  0.11480538  0.75000000  1.0
  Cd  Cd21  1  0.88523509  0.77043097  0.75000000  1.0
  Cd  Cd22  1  0.22955392  0.11478125  0.75000000  1.0
  Cd  Cd23  1  0.11476023  0.88519462  0.25000000  1.0
  Cd  Cd24  1  0.11476491  0.22956903  0.25000000  1.0
  Cd  Cd25  1  0.77044608  0.88521875  0.25000000  1.0
  Au  Au26  1  0.33327544  0.66662864  0.75000000  1.0
  Au  Au27  1  0.66672456  0.33337136  0.25000000  1.0

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