Tb2MnGa6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1087513 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Tb2MnGa6

MP-ID

mp-1087513

Elements

Sites

Density

7.9299

g/cm³

Volume

165.66

Å³

Cell a

6.1647

Cell b

6.1647

Cell c

6.1647

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

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 24)

2θ	d (Å)	I	hkl
17.62	5.0335	1.4	(1,0,0)
20.37	4.3591	6.5	(1,1,0)
28.97	3.0824	36.7	(2,1,1)
34.11	2.6287	3.4	(2,0,1)
34.11	2.6287	1.7	(1,1,-1)
35.67	2.5168	100.0	(2,0,0)
41.43	2.1796	43.8	(2,0,2)
41.43	2.1796	21.9	(2,2,0)
45.34	2.0001	4.4	(1,1,3)
45.34	2.0001	8.8	(2,0,-1)
46.59	1.9495	4.8	(3,1,2)
46.59	1.9495	2.4	(2,1,-1)
51.34	1.7796	9.8	(3,1,0)
54.71	1.6778	2.3	(3,0,2)
54.71	1.6778	6.3	(3,0,0)
54.71	1.6778	1.1	(2,2,-1)
60.03	1.5412	12.6	(2,2,4)
60.03	1.5412	25.2	(2,0,-2)
64.09	1.4530	5.0	(4,1,1)
68.01	1.3785	7.7	(4,1,3)
68.01	1.3785	3.8	(3,2,-1)
71.83	1.3143	19.3	(4,0,2)
71.83	1.3143	9.6	(2,2,-2)
75.56	1.2584	11.0	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.61877

eV/atom

Energy/atom

-16.81797

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.8180

eV/atom

Volume/atom

18.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.5744

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.015540

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

12.1113

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.085%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2910

smaller = more stable mixing

VEC

4.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.427

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.579

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.667

Related Tasks

Related computation task IDs (5)

aaadnefl aaadsumo aaaelytc aaaetzns aaafiwer

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1087513

Reference Citation

The crystal structure and related material properties of Tb2MnGa6 were obtained from the Materials Project database (MP-ID: mp-1087513, 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…

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Raw CIF Data

# generated using pymatgen
data_Tb2MnGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16474306
_cell_length_b   6.16474306
_cell_length_c   6.16474379
_cell_angle_alpha   59.99999609
_cell_angle_beta   59.99999609
_cell_angle_gamma   60.00000782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2MnGa6
_chemical_formula_sum   'Tb2 Mn1 Ga6'
_cell_volume   165.66470653
_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  0.75000000  0.75000000  0.75000000  1.0
  Tb  Tb1  1  0.25000000  0.25000000  0.25000000  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga3  1  0.78299942  0.78299942  0.21700058  1.0
  Ga  Ga4  1  0.21700058  0.78299942  0.21700058  1.0
  Ga  Ga5  1  0.78299942  0.21700058  0.21700058  1.0
  Ga  Ga6  1  0.21700058  0.21700058  0.78299942  1.0
  Ga  Ga7  1  0.78299942  0.21700058  0.78299942  1.0
  Ga  Ga8  1  0.21700058  0.78299942  0.78299942  1.0

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