Basic Information
Formula
TbAgGe
MP-ID
mp-10079
Elements
3
Sites
9
Density
8.6443
g/cm³
Volume
195.61
ų
Cell a
7.3822
Å
Cell b
7.3822
Å
Cell c
4.1447
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.85 | 6.3932 | 1.3 | (1,0,-1,0) |
| 21.44 | 4.1447 | 2.6 | (0,0,0,1) |
| 24.11 | 3.6911 | 11.0 | (2,-1,-1,0) |
| 25.61 | 3.4778 | 3.3 | (1,0,-1,1) |
| 27.91 | 3.1966 | 6.7 | (2,0,-2,0) |
| 32.48 | 2.7565 | 100.0 | (2,-1,-1,1) |
| 35.46 | 2.5312 | 73.0 | (2,0,-2,1) |
| 37.21 | 2.4164 | 25.9 | (3,-1,-2,0) |
| 42.42 | 2.1311 | 13.8 | (3,-3,0,0) |
| 42.42 | 2.1311 | 27.6 | (3,0,-3,0) |
| 43.34 | 2.0875 | 20.4 | (3,-1,-2,1) |
| 43.68 | 2.0724 | 25.1 | (0,0,0,2) |
| 49.38 | 1.8455 | 3.2 | (4,-2,-2,0) |
| 50.51 | 1.8070 | 3.0 | (2,-1,-1,2) |
| 51.54 | 1.7731 | 11.9 | (4,-1,-3,0) |
| 52.63 | 1.7389 | 2.4 | (2,0,-2,2) |
| 54.42 | 1.6860 | 6.7 | (4,-2,-2,1) |
| 56.44 | 1.6302 | 12.1 | (4,-1,-3,1) |
| 58.69 | 1.5731 | 13.7 | (3,-1,-2,2) |
| 62.52 | 1.4857 | 25.4 | (3,0,-3,2) |
| 63.42 | 1.4667 | 2.6 | (5,-2,-3,0) |
| 67.09 | 1.3951 | 1.5 | (5,-1,-4,0) |
| 67.77 | 1.3827 | 25.4 | (5,-2,-3,1) |
| 68.02 | 1.3782 | 2.4 | (4,-2,-2,2) |
Energy Properties
Formation Energy/atom
-0.41365
eV/atom
Energy/atom
-4.44826
eV/atom
Energy above Hull
0.1686
eV/atom
Uncorrected Energy
-4.4483
eV/atom
Volume/atom
21.73
ų
c/a Ratio
0.5615
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
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
2.1917
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.924%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4114
smaller = more stable mixing
VEC
8.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.661
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-10079
Reference Citation
The crystal structure and related material properties of TbAgGe were obtained from the Materials Project database (MP-ID: mp-10079, 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_TbAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38217244
_cell_length_b 7.38217244
_cell_length_c 4.14472100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000398
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbAgGe
_chemical_formula_sum 'Tb3 Ag3 Ge3'
_cell_volume 195.61145687
_cell_formula_units_Z 3
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 0.60375500 0.00000000 1.0
Tb Tb1 1 0.39624500 0.39624500 0.00000000 1.0
Tb Tb2 1 0.60375500 0.00000000 0.00000000 1.0
Ag Ag3 1 0.66666700 0.33333300 0.50000000 1.0
Ag Ag4 1 0.00000000 0.00000000 0.00000000 1.0
Ag Ag5 1 0.33333300 0.66666700 0.50000000 1.0
Ge Ge6 1 0.73253300 0.73253300 0.50000000 1.0
Ge Ge7 1 0.26746700 0.00000000 0.50000000 1.0
Ge Ge8 1 0.00000000 0.26746700 0.50000000 1.0
