TbTc2GeC

High-Entropy Materials HEA

MP-ID: mp-3252664 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

TbTc2GeC

MP-ID

mp-3252664

Elements

Sites

Density

9.1890

g/cm³

Volume

158.87

Å³

Cell a

5.8015

Cell b

5.8015

Cell c

7.4276

α Angle

90.00

β Angle

90.00

γ Angle

140.54

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
16.23	5.4610	3.5	(1,-1,0)
23.96	3.7138	5.0	(0,0,2)
24.14	3.6868	5.0	(1,0,0)
27.00	3.3024	2.7	(1,0,1)
29.08	3.0710	22.5	(1,-1,2)
32.80	2.7305	2.4	(2,-2,0)
33.61	2.6666	69.0	(2,-1,0)
34.27	2.6165	100.0	(1,0,2)
35.01	2.5628	43.3	(2,-2,1)
35.78	2.5098	49.0	(2,-1,1)
39.98	2.2550	25.7	(1,-1,3)
41.03	2.1999	20.6	(2,-2,2)
41.70	2.1661	2.7	(2,-1,2)
44.06	2.0554	30.2	(1,0,3)
46.36	1.9584	35.5	(1,1,0)
49.06	1.8569	10.8	(0,0,4)
50.11	1.8203	2.9	(3,-3,0)
50.29	1.8144	21.9	(2,-1,3)
51.70	1.7680	3.0	(3,-3,1)
52.85	1.7323	1.4	(1,1,2)
54.04	1.6970	13.4	(3,-2,2)
55.40	1.6584	8.5	(1,0,4)
55.66	1.6512	3.8	(0,2,2)
55.66	1.6512	3.8	(2,0,2)

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Energy Properties

Formation Energy/atom

-0.49483

eV/atom

Energy/atom

-21.88983

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.8898

eV/atom

Volume/atom

15.89

Å³

c/a Ratio

1.2803

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.400

Element Family

4d-TM

Solute Fraction

0.600

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3322

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0757

J/mol·K

Ω Parameter

8.6988

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

24.210%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4635

smaller = more stable mixing

VEC

5.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.934

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9610

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdbqm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252664

Reference Citation

The crystal structure and related material properties of TbTc2GeC were obtained from the Materials Project database (MP-ID: mp-3252664, 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_TbTc2GeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80152424
_cell_length_b   5.80152451
_cell_length_c   7.42762643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   140.54345192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTc2GeC
_chemical_formula_sum   'Tb2 Tc4 Ge2 C2'
_cell_volume   158.87112344
_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  0.54227154  0.45772846  0.25000000  1.0
  Tb  Tb1  1  0.45772846  0.54227154  0.75000000  1.0
  Tc  Tc2  1  0.82996711  0.17003289  0.05798503  1.0
  Tc  Tc3  1  0.17003289  0.82996711  0.94201497  1.0
  Tc  Tc4  1  0.17003289  0.82996711  0.55798503  1.0
  Tc  Tc5  1  0.82996711  0.17003289  0.44201497  1.0
  Ge  Ge6  1  0.26619640  0.73380360  0.25000000  1.0
  Ge  Ge7  1  0.73380360  0.26619640  0.75000000  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0

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