LuInCo4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025033 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

LuInCo4

MP-ID

mp-1025033

Elements

Sites

Density

10.1171

g/cm³

Volume

86.25

Å³

Cell a

4.9594

Cell b

4.9594

Cell c

4.9594

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

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 12)

2θ	d (Å)	I	hkl
21.95	4.0494	13.1	(1,1,1)
25.40	3.5069	2.9	(1,1,0)
36.23	2.4797	61.2	(2,1,1)
42.76	2.1147	100.0	(2,2,1)
44.76	2.0247	16.9	(2,2,2)
57.26	1.6091	3.6	(3,2,2)
58.89	1.5683	1.2	(3,2,1)
65.16	1.4317	21.8	(3,3,2)
69.66	1.3498	29.8	(3,3,3)
76.89	1.2399	21.7	(4,2,2)
81.12	1.1855	2.9	(4,3,2)
88.08	1.1090	9.9	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.16085

eV/atom

Energy/atom

-6.12994

eV/atom

Energy above Hull

0.0045

eV/atom

Uncorrected Energy

-6.1299

eV/atom

Volume/atom

14.38

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.5742

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.053030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

1.4733

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.540%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2229

smaller = more stable mixing

VEC

6.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.692

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.748

Family

Co-based Alloy

Matrix Element

Co · 0.667

Related Tasks

Related computation task IDs (5)

aaadbuvs aaadolfn aaadvzii aaaeppmz aaafbntf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025033

Reference Citation

The crystal structure and related material properties of LuInCo4 were obtained from the Materials Project database (MP-ID: mp-1025033, 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_LuInCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95942917
_cell_length_b   4.95942917
_cell_length_c   4.95942917
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuInCo4
_chemical_formula_sum   'Lu1 In1 Co4'
_cell_volume   86.25416586
_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  0.25000000  0.25000000  0.25000000  1.0
  In  In1  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co2  1  0.62523800  0.62523800  0.62523800  1.0
  Co  Co3  1  0.62523800  0.62523800  0.12428500  1.0
  Co  Co4  1  0.62523800  0.12428500  0.62523800  1.0
  Co  Co5  1  0.12428500  0.62523800  0.62523800  1.0

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