Lu4InPt10Au

High-Entropy Materials HEA

MP-ID: mp-3292968 · Space group: P2/m (#10)

Materials Project API

Basic Information

Formula

Lu4InPt10Au

MP-ID

mp-3292968

Elements

Sites

Density

18.0086

g/cm³

Volume

273.17

Å³

Cell a

4.1457

Cell b

5.7556

Cell c

11.4532

α Angle

88.31

β Angle

90.00

γ Angle

90.00

Space Group

P2/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
7.72	11.4482	1.6	(0,0,1)
38.08	2.3634	95.3	(1,2,0)
38.21	2.3553	100.0	(1,0,4)
38.72	2.3258	4.8	(1,2,1)
39.11	2.3035	1.9	(1,2,-1)
39.80	2.2651	2.0	(0,2,-3)
43.67	2.0729	35.1	(2,0,0)
43.96	2.0595	30.9	(0,2,4)
45.36	1.9996	29.3	(0,2,-4)
50.19	1.8178	1.3	(0,2,5)
60.55	1.5292	1.2	(2,2,-3)
63.70	1.4610	20.8	(2,2,4)
64.78	1.4391	20.4	(2,2,-4)
64.82	1.4383	8.1	(0,4,0)
65.13	1.4323	1.8	(0,4,1)
65.19	1.4310	10.1	(0,0,8)
68.68	1.3667	1.1	(2,2,5)
73.30	1.2915	1.0	(1,4,3)
74.82	1.2690	2.3	(1,4,-3)
76.47	1.2456	12.8	(3,2,0)
76.56	1.2444	13.5	(3,0,4)
76.81	1.2410	9.6	(1,4,4)
77.07	1.2375	11.4	(1,2,8)
78.81	1.2144	9.6	(1,4,-4)

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Energy Properties

Formation Energy/atom

-1.16656

eV/atom

Energy/atom

-47.43907

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.4391

eV/atom

Volume/atom

17.07

Å³

c/a Ratio

2.7627

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

Pt · 0.625

Element Family

5d-TM

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9869

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2051

J/mol·K

Ω Parameter

3.1123

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.582%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4509

smaller = more stable mixing

VEC

7.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.923

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7119

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjgq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292968

Reference Citation

The crystal structure and related material properties of Lu4InPt10Au were obtained from the Materials Project database (MP-ID: mp-3292968, 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_Lu4InPt10Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14571494
_cell_length_b   5.75559276
_cell_length_c   11.45317218
_cell_angle_alpha   88.30770741
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4InPt10Au
_chemical_formula_sum   'Lu4 In1 Pt10 Au1'
_cell_volume   273.16548290
_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
  Lu  Lu0  1  0.50000000  0.76895561  0.37122683  1.0
  Lu  Lu1  1  0.50000000  0.71244409  0.86219278  1.0
  Lu  Lu2  1  0.50000000  0.28755591  0.13780722  1.0
  Lu  Lu3  1  0.50000000  0.23104439  0.62877317  1.0
  In  In4  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt5  1  0.00000000  0.02408727  0.24986779  1.0
  Pt  Pt6  1  0.00000000  0.97591273  0.75013221  1.0
  Pt  Pt7  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.52484409  0.24895131  1.0
  Pt  Pt9  1  0.00000000  0.47515591  0.75104869  1.0
  Pt  Pt10  1  0.50000000  0.26145585  0.37802745  1.0
  Pt  Pt11  1  0.50000000  0.22450282  0.88108074  1.0
  Pt  Pt12  1  0.50000000  0.77549718  0.11891926  1.0
  Pt  Pt13  1  0.50000000  0.73854415  0.62197255  1.0
  Pt  Pt14  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au15  1  0.00000000  0.50000000  0.50000000  1.0

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