TbCuGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9387 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

TbCuGe

MP-ID

mp-9387

Elements

Sites

Density

8.6023

g/cm³

Volume

113.93

Å³

Cell a

4.2197

Cell b

4.2197

Cell c

7.3886

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

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 23)

2θ	d (Å)	I	hkl
24.36	3.6544	16.9	(1,0,-1,0)
27.22	3.2756	1.2	(1,0,-1,1)
34.52	2.5980	100.0	(1,0,-1,2)
42.86	2.1099	32.2	(2,-1,-1,0)
42.86	2.1099	16.1	(1,-2,1,0)
44.35	2.0423	2.4	(1,0,-1,3)
49.34	1.8471	9.2	(0,0,0,4)
49.91	1.8272	2.6	(2,0,-2,0)
55.76	1.6485	4.7	(1,0,-1,4)
56.16	1.6378	8.2	(2,0,-2,2)
56.16	1.6378	16.3	(2,-2,0,2)
67.38	1.3898	14.1	(2,-1,-1,4)
67.38	1.3898	7.1	(1,-2,1,4)
67.86	1.3812	1.4	(3,-1,-2,0)
68.49	1.3700	1.0	(1,-1,0,5)
72.81	1.2990	1.4	(2,0,-2,4)
73.15	1.2938	14.7	(3,-1,-2,2)
73.15	1.2938	7.3	(2,-3,1,2)
78.53	1.2181	2.6	(3,0,-3,0)
78.53	1.2181	5.2	(3,-3,0,0)
82.70	1.1670	6.7	(1,0,-1,6)
88.36	1.1062	1.4	(3,-1,-2,4)
88.36	1.1062	1.4	(3,-2,-1,4)

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Energy Properties

Formation Energy/atom

-0.77491

eV/atom

Energy/atom

-19.42331

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.4233

eV/atom

Volume/atom

18.99

Å³

c/a Ratio

1.7510

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

86.002

GPa

G_VRH

53.608

GPa

Young's Modulus E

133.157

GPa

Poisson Ratio ν

0.242

Pugh Ratio K/G

1.604

Vickers Hardness Est.

8.816

GPa

Ductility

Ductile

Anisotropy

1.112

Lame λ

50.263

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.3967

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.049%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4055

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.333

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1120

Homogeneous Poisson ν

0.2420

Debye Temperature

399.7

Sound Velocity

2,768.9

m/s

Homogeneity

0.2420

Related Tasks

Related computation task IDs (5)

aaadmvkh aaadsniu aaaelyvx aaaeuite aaafxigg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9387

Reference Citation

The crystal structure and related material properties of TbCuGe were obtained from the Materials Project database (MP-ID: mp-9387, 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_TbCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21969531
_cell_length_b   4.21969494
_cell_length_c   7.38856615
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCuGe
_chemical_formula_sum   'Tb2 Cu2 Ge2'
_cell_volume   113.93390111
_cell_formula_units_Z   2
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  0.75217883  1.0
  Tb  Tb1  1  -0.00000000  -0.00000000  0.25217883  1.0
  Cu  Cu2  1  0.66666700  0.33333300  0.52599314  1.0
  Cu  Cu3  1  0.33333300  0.66666700  0.02599314  1.0
  Ge  Ge4  1  0.33333300  0.66666700  0.48232703  1.0
  Ge  Ge5  1  0.66666700  0.33333300  0.98232703  1.0

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