TbGa5Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025288 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

TbGa5Co

MP-ID

mp-1025288

Elements

Sites

Density

7.9546

g/cm³

Volume

118.25

Å³

Cell a

4.1768

Cell b

4.1768

Cell c

6.7782

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
13.06	6.7782	4.6	(0,0,1)
21.27	4.1768	22.7	(1,0,0)
26.30	3.3891	2.3	(0,0,2)
33.08	2.7076	54.7	(1,1,1)
34.07	2.6317	13.7	(1,0,2)
39.90	2.2594	20.1	(0,0,3)
40.51	2.2266	100.0	(1,1,2)
43.33	2.0884	56.4	(2,0,0)
48.75	1.8679	5.0	(2,1,0)
50.88	1.7945	2.0	(1,1,3)
51.39	1.7780	1.4	(2,0,2)
54.12	1.6946	3.6	(0,0,4)
56.23	1.6359	6.4	(2,1,2)
58.81	1.5703	2.8	(1,0,4)
60.35	1.5336	23.5	(2,0,3)
62.94	1.4767	18.0	(2,2,0)
63.27	1.4698	8.8	(1,1,4)
71.73	1.3159	6.1	(2,0,4)
72.97	1.2965	11.0	(3,1,1)
73.54	1.2878	1.4	(3,0,2)
75.79	1.2551	2.6	(2,1,4)
77.17	1.2361	11.3	(2,2,3)
77.47	1.2321	11.3	(1,1,5)
77.57	1.2307	28.2	(3,1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.46916

eV/atom

Energy/atom

-4.31370

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.9939

eV/atom

Volume/atom

16.89

Å³

c/a Ratio

1.6228

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

K_VRH

92.096

GPa

G_VRH

54.393

GPa

Young's Modulus E

136.338

GPa

Poisson Ratio ν

0.253

Pugh Ratio K/G

1.693

Vickers Hardness Est.

8.188

GPa

Ductility

Ductile

Anisotropy

0.060

Lame λ

55.834

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

8.2891

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.757%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2537

smaller = more stable mixing

VEC

4.714

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

0.0600

Homogeneous Poisson ν

0.2530

Debye Temperature

376.0

Sound Velocity

2,904.2

m/s

Homogeneity

0.2530

Related Tasks

Related computation task IDs (5)

aaadmnlt aaadsvya aaaemluv aaaeurgk aaafxhee

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025288

Reference Citation

The crystal structure and related material properties of TbGa5Co were obtained from the Materials Project database (MP-ID: mp-1025288, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_TbGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17683200
_cell_length_b   4.17683200
_cell_length_c   6.77822074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbGa5Co
_chemical_formula_sum   'Tb1 Ga5 Co1'
_cell_volume   118.25233443
_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
  Tb  Tb0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Ga  Ga1  1  -0.00000000  0.50000000  0.31226062  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.68773938  1.0
  Ga  Ga3  1  0.50000000  0.00000000  0.31226062  1.0
  Ga  Ga4  1  0.50000000  -0.00000000  0.68773938  1.0
  Ga  Ga5  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co6  1  -0.00000000  -0.00000000  0.50000000  1.0

Get direct link