Tb(Tc2Ge)2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3296936 · Space group: Pnnm (#58)
Basic Information
Formula
Tb(Tc2Ge)2
MP-ID
mp-3296936
Elements
3
Sites
14
Density
10.0911
g/cm³
Volume
229.13
ų
Cell a
7.1376
Å
Cell b
7.6250
Å
Cell c
4.2100
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnnm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.02 | 5.2108 | 3.1 | (1,1,0) |
| 24.15 | 3.6856 | 5.3 | (0,1,1) |
| 24.55 | 3.6262 | 7.3 | (1,0,1) |
| 24.95 | 3.5688 | 1.9 | (2,0,0) |
| 26.51 | 3.3628 | 1.2 | (1,2,0) |
| 27.23 | 3.2748 | 4.0 | (1,1,1) |
| 34.12 | 2.6275 | 76.3 | (1,2,1) |
| 34.42 | 2.6054 | 25.6 | (2,2,0) |
| 35.00 | 2.5638 | 91.8 | (2,1,1) |
| 37.56 | 2.3944 | 50.4 | (1,3,0) |
| 39.68 | 2.2712 | 28.5 | (3,1,0) |
| 40.73 | 2.2155 | 100.0 | (2,2,1) |
| 41.50 | 2.1759 | 9.7 | (0,3,1) |
| 42.97 | 2.1050 | 71.1 | (0,0,2) |
| 43.48 | 2.0813 | 34.2 | (1,3,1) |
| 43.70 | 2.0713 | 1.1 | (3,0,1) |
| 43.72 | 2.0703 | 2.6 | (2,3,0) |
| 45.37 | 1.9989 | 51.6 | (3,1,1) |
| 47.71 | 1.9062 | 2.1 | (0,4,0) |
| 49.03 | 1.8578 | 2.1 | (2,3,1) |
| 49.49 | 1.8417 | 15.0 | (1,4,0) |
| 52.68 | 1.7375 | 13.8 | (4,1,0) |
| 52.70 | 1.7370 | 3.1 | (3,3,0) |
| 54.37 | 1.6873 | 9.0 | (1,4,1) |
Energy Properties
Formation Energy/atom
-0.44200
eV/atom
Energy/atom
-23.70329
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.7033
eV/atom
Volume/atom
16.37
ų
c/a Ratio
0.5898
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 0.571
Element Family
4d-TM
Solute Fraction
0.429
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9557
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9457
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.446%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2967
smaller = more stable mixing
VEC
5.286
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8699
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.536
Family
Tc-rich Multi-Component
Matrix Element
Tc · 0.571
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296936
Reference Citation
The crystal structure and related material properties of Tb(Tc2Ge)2 were obtained from the Materials Project database (MP-ID: mp-3296936, 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_Tb(Tc2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13762297
_cell_length_b 7.62496913
_cell_length_c 4.21002331
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb(Tc2Ge)2
_chemical_formula_sum 'Tb2 Tc8 Ge4'
_cell_volume 229.12695996
_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 0.50000000 0.50000000 0.00000000 1.0
Tb Tb1 1 0.00000000 0.00000000 0.50000000 1.0
Tc Tc2 1 0.85275092 0.39403786 0.50000000 1.0
Tc Tc3 1 0.14724908 0.60596214 0.50000000 1.0
Tc Tc4 1 0.64724908 0.89403786 0.00000000 1.0
Tc Tc5 1 0.35275092 0.10596214 0.00000000 1.0
Tc Tc6 1 0.58597625 0.15230383 0.50000000 1.0
Tc Tc7 1 0.41402375 0.84769617 0.50000000 1.0
Tc Tc8 1 0.91402375 0.65230383 0.00000000 1.0
Tc Tc9 1 0.08597625 0.34769617 0.00000000 1.0
Ge Ge10 1 0.28048126 0.30426240 0.50000000 1.0
Ge Ge11 1 0.71951874 0.69573760 0.50000000 1.0
Ge Ge12 1 0.21951874 0.80426240 0.00000000 1.0
Ge Ge13 1 0.78048126 0.19573760 0.00000000 1.0
