Tb5Ge3C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1105792 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Tb5Ge3C

MP-ID

mp-1105792

Elements

Sites

Density

8.2814

g/cm³

Volume

410.88

Å³

Cell a

8.5458

Cell b

8.5458

Cell c

6.4965

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

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
20.79	4.2729	8.7	(2,-1,-1,0)
24.05	3.7005	6.9	(2,0,-2,0)
24.94	3.5699	6.5	(2,-1,-1,1)
27.46	3.2482	10.9	(0,0,0,2)
30.04	2.9744	34.9	(1,0,-1,2)
32.00	2.7973	42.2	(3,-1,-2,0)
34.69	2.5859	67.5	(2,-1,-1,2)
34.92	2.5692	100.0	(3,-1,-2,1)
36.42	2.4670	20.2	(3,0,-3,0)
36.82	2.4412	4.5	(2,0,-2,2)
42.30	2.1365	1.3	(4,-2,-2,0)
42.66	2.1196	1.5	(3,-1,-2,2)
44.12	2.0526	2.8	(4,-1,-3,0)
44.12	2.0526	1.4	(3,1,-4,0)
44.65	2.0295	7.0	(4,-2,-2,1)
44.65	2.0295	3.5	(2,2,-4,1)
46.21	1.9646	5.7	(3,0,-3,2)
47.05	1.9316	1.2	(2,-1,-1,3)
49.25	1.8502	1.6	(4,0,-4,0)
51.18	1.7850	20.2	(4,-2,-2,2)
52.75	1.7352	1.4	(4,-1,-3,2)
53.51	1.7123	29.5	(3,-1,-2,3)
55.98	1.6427	3.8	(5,-2,-3,1)
56.68	1.6241	10.8	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.85541

eV/atom

Energy/atom

-23.93267

eV/atom

Energy above Hull

0.0108

eV/atom

Uncorrected Energy

-5.8516

eV/atom

Volume/atom

22.83

Å³

c/a Ratio

0.7602

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0043

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

4.9698

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.911%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5422

smaller = more stable mixing

VEC

6.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.717

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.556

Family

Interstitial Alloy

Matrix Element

Tb · 0.556

Related Tasks

Related computation task IDs (5)

aaaddoiz aaadpext aaadtgrh aaaesjwr aaafwusq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105792

Reference Citation

The crystal structure and related material properties of Tb5Ge3C were obtained from the Materials Project database (MP-ID: mp-1105792, 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_Tb5Ge3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54581845
_cell_length_b   8.54581845
_cell_length_c   6.49644700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Ge3C
_chemical_formula_sum   'Tb10 Ge6 C2'
_cell_volume   410.87890108
_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  0.66666700  0.33333300  0.00000000  1.0
  Tb  Tb1  1  0.33333300  0.66666700  0.00000000  1.0
  Tb  Tb2  1  0.33333300  0.66666700  0.50000000  1.0
  Tb  Tb3  1  0.66666700  0.33333300  0.50000000  1.0
  Tb  Tb4  1  0.77754400  0.77754400  0.75000000  1.0
  Tb  Tb5  1  0.22245600  0.00000000  0.75000000  1.0
  Tb  Tb6  1  0.00000000  0.22245600  0.75000000  1.0
  Tb  Tb7  1  0.22245600  0.22245600  0.25000000  1.0
  Tb  Tb8  1  0.77754400  0.00000000  0.25000000  1.0
  Tb  Tb9  1  0.00000000  0.77754400  0.25000000  1.0
  Ge  Ge10  1  0.40827000  0.40827000  0.75000000  1.0
  Ge  Ge11  1  0.59173000  0.00000000  0.75000000  1.0
  Ge  Ge12  1  0.00000000  0.59173000  0.75000000  1.0
  Ge  Ge13  1  0.59173000  0.59173000  0.25000000  1.0
  Ge  Ge14  1  0.40827000  0.00000000  0.25000000  1.0
  Ge  Ge15  1  0.00000000  0.40827000  0.25000000  1.0
  C  C16  1  0.00000000  0.00000000  0.00000000  1.0
  C  C17  1  0.00000000  0.00000000  0.50000000  1.0

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