TbGa2Co3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-644529 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

TbGa2Co3

MP-ID

mp-644529

Elements

Sites

Density

8.8402

g/cm³

Volume

267.77

Å³

Cell a

8.9873

Cell b

8.9873

Cell c

3.8280

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
19.76	4.4936	3.2	(2,-1,-1,0)
25.94	3.4350	34.8	(1,0,-1,1)
30.38	2.9418	1.6	(3,-1,-2,0)
30.68	2.9140	5.2	(2,-1,-1,1)
32.82	2.7290	45.7	(2,0,-2,1)
34.57	2.5944	69.6	(3,0,-3,0)
38.60	2.3326	73.2	(3,-1,-2,1)
40.13	2.2468	56.1	(4,-2,-2,0)
42.07	2.1476	100.0	(3,0,-3,1)
46.68	1.9458	1.5	(4,0,-4,0)
46.89	1.9377	37.1	(4,-2,-2,1)
47.50	1.9140	41.3	(0,0,0,2)
48.41	1.8803	7.7	(4,-1,-3,1)
51.16	1.7856	5.5	(5,-2,-3,0)
52.78	1.7346	4.6	(4,0,-4,1)
53.99	1.6984	1.3	(5,-1,-4,0)
56.90	1.6182	8.7	(5,-2,-3,1)
59.55	1.5525	1.3	(5,-1,-4,1)
60.07	1.5402	28.5	(3,0,-3,2)
61.95	1.4979	16.0	(6,-3,-3,0)
63.89	1.4570	26.9	(4,-2,-2,2)
64.64	1.4420	18.1	(5,0,-5,1)
67.10	1.3949	16.0	(6,-3,-3,1)
68.32	1.3730	9.7	(6,-2,-4,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.36101

eV/atom

Energy/atom

-5.71006

eV/atom

Energy above Hull

0.0090

eV/atom

Uncorrected Energy

-5.7101

eV/atom

Volume/atom

14.88

Å³

c/a Ratio

0.4259

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.7979

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.010450

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

11.5427

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.964%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2820

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.915

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.650

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (5)

aaachryb aaadtary aaaecwul aaaeuele aaafddxz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-644529

Reference Citation

The crystal structure and related material properties of TbGa2Co3 were obtained from the Materials Project database (MP-ID: mp-644529, 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_TbGa2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98726989
_cell_length_b   8.98726989
_cell_length_c   3.82799500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbGa2Co3
_chemical_formula_sum   'Tb3 Ga6 Co9'
_cell_volume   267.76731550
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.50000000  1.0
  Tb  Tb1  1  0.33333300  0.66666700  0.50000000  1.0
  Tb  Tb2  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga3  1  0.68411500  0.68411500  0.50000000  1.0
  Ga  Ga4  1  0.31588500  0.00000000  0.50000000  1.0
  Ga  Ga5  1  0.00000000  0.31588500  0.50000000  1.0
  Ga  Ga6  1  0.31588500  0.31588500  0.50000000  1.0
  Ga  Ga7  1  0.68411500  0.00000000  0.50000000  1.0
  Ga  Ga8  1  0.00000000  0.68411500  0.50000000  1.0
  Co  Co9  1  0.81674600  0.18325400  0.00000000  1.0
  Co  Co10  1  0.81674600  0.63349200  0.00000000  1.0
  Co  Co11  1  0.36650800  0.18325400  0.00000000  1.0
  Co  Co12  1  0.18325400  0.81674600  0.00000000  1.0
  Co  Co13  1  0.63349200  0.81674600  0.00000000  1.0
  Co  Co14  1  0.18325400  0.36650800  0.00000000  1.0
  Co  Co15  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co16  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co17  1  0.00000000  0.50000000  0.00000000  1.0

Get direct link