Basic Information
Formula
TbCuGe
MP-ID
mp-9387
Elements
3
Sites
6
Density
8.6023
g/cm³
Volume
113.93
ų
Cell a
4.2197
Å
Cell b
4.2197
Å
Cell c
7.3886
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
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) |
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
ų
c/a Ratio
1.7510
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
86.002
GPa
GVRH
53.608
GPa
Young's Modulus E
133.157
GPa
Poisson Ratio ν
0.242
Pugh Ratio K/G
1.604
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
1.112
Lame λ
50.263
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
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
0
Phase Tendency
IM
Related Tasks
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
