YInCu4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1071645 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

YInCu4

MP-ID

mp-1071645

Elements

Sites

Density

8.2242

g/cm³

Volume

92.46

Å³

Cell a

5.0756

Cell b

5.0756

Cell c

5.0756

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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 8)

2θ	d (Å)	I	hkl
35.37	2.5378	42.2	(2,1,1)
41.74	2.1642	100.0	(2,2,1)
43.68	2.0721	27.6	(2,2,2)
63.49	1.4652	14.6	(3,3,2)
67.85	1.3814	29.1	(3,3,3)
74.83	1.2689	23.1	(4,2,2)
85.57	1.1349	6.3	(4,3,1)
89.54	1.0946	10.3	(4,4,3)

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Energy Properties

Formation Energy/atom

-0.30198

eV/atom

Energy/atom

-14.68188

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.6819

eV/atom

Volume/atom

15.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Cu · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.6706

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.209%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2484

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.732

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.791

Family

Cu-based Alloy

Matrix Element

Cu · 0.667

Related Tasks

Related computation task IDs (5)

aaacizjc aaadrffc aaaegpfn aaaeqvat aaafxikd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1071645

Reference Citation

The crystal structure and related material properties of YInCu4 were obtained from the Materials Project database (MP-ID: mp-1071645, 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_YInCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07555635
_cell_length_b   5.07555635
_cell_length_c   5.07555635
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInCu4
_chemical_formula_sum   'Y1 In1 Cu4'
_cell_volume   92.45618351
_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
  Y  Y0  1  -0.00000000  0.00000000  -0.00000000  1.0
  In  In1  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.62466504  0.62466504  0.12600487  1.0
  Cu  Cu3  1  0.62466504  0.12600487  0.62466504  1.0
  Cu  Cu4  1  0.12600487  0.62466504  0.62466504  1.0
  Cu  Cu5  1  0.62466504  0.62466504  0.62466504  1.0

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