LuGa5Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025155 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

LuGa5Co

MP-ID

mp-1025155

Elements

Sites

Density

8.1021

g/cm³

Volume

119.39

Å³

Cell a

4.2053

Cell b

4.2053

Cell c

6.7510

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.11	6.7510	8.2	(0,0,1)
21.13	4.2053	25.1	(1,0,0)
24.95	3.5694	1.6	(1,0,1)
26.40	3.3755	2.2	(0,0,2)
32.91	2.7213	52.4	(1,1,1)
34.06	2.6324	15.0	(1,0,2)
40.07	2.2503	18.2	(0,0,3)
40.43	2.2313	100.0	(1,1,2)
43.02	2.1027	54.3	(2,0,0)
45.17	2.0075	1.8	(2,0,1)
48.40	1.8807	5.6	(2,1,0)
51.18	1.7847	1.4	(2,0,2)
54.36	1.6878	4.4	(0,0,4)
55.97	1.6429	7.2	(2,1,2)
58.97	1.5663	3.1	(1,0,4)
60.24	1.5364	21.7	(2,0,3)
62.46	1.4868	17.4	(2,2,0)
63.37	1.4678	7.0	(1,1,4)
66.73	1.4018	1.1	(3,0,0)
71.71	1.3162	7.5	(2,0,4)
72.44	1.3048	10.8	(3,1,1)
73.10	1.2946	1.6	(3,0,2)
75.72	1.2561	2.9	(2,1,4)
76.85	1.2405	10.6	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.44471

eV/atom

Energy/atom

-4.27265

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-4.2727

eV/atom

Volume/atom

17.06

Å³

c/a Ratio

1.6054

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

87.390

GPa

G_VRH

50.001

GPa

Young's Modulus E

125.977

GPa

Poisson Ratio ν

0.260

Pugh Ratio K/G

1.748

Vickers Hardness Est.

7.262

GPa

Ductility

Ductile

Anisotropy

0.068

Lame λ

54.056

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.714

Element Family

PostTransition-Noble

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

8.7886

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.757%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1945

smaller = more stable mixing

VEC

3.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.560

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.616

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0680

Homogeneous Poisson ν

0.2600

Debye Temperature

359.6

Sound Velocity

2,761.1

m/s

Homogeneity

0.2600

Related Tasks

Related computation task IDs (5)

aaadmswa aaadsnqb aaadxnzw aaaeuulx aaafcbbp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025155

Reference Citation

The crystal structure and related material properties of LuGa5Co were obtained from the Materials Project database (MP-ID: mp-1025155, 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_LuGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20529700
_cell_length_b   4.20529700
_cell_length_c   6.75100300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuGa5Co
_chemical_formula_sum   'Lu1 Ga5 Co1'
_cell_volume   119.38826687
_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  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga1  1  0.00000000  0.50000000  0.30773200  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.69226800  1.0
  Ga  Ga3  1  0.50000000  0.00000000  0.30773200  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.69226800  1.0
  Ga  Ga5  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.00000000  0.00000000  0.50000000  1.0

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