Basic Information
Formula
TbTiGe
MP-ID
mp-10078
Elements
3
Sites
6
Density
7.4244
g/cm³
Volume
125.00
ų
Cell a
4.0305
Å
Cell b
4.0307
Å
Cell c
8.2050
Å
α Angle
104.22
°
β Angle
104.22
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
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 |
|---|---|---|---|
| 11.50 | 7.6941 | 22.4 | (0,0,1) |
| 22.81 | 3.8991 | 1.9 | (0,1,-1) |
| 22.81 | 3.8990 | 1.9 | (1,0,0) |
| 23.12 | 3.8471 | 18.5 | (0,0,2) |
| 28.16 | 3.1693 | 21.0 | (0,1,-2) |
| 28.16 | 3.1693 | 21.0 | (0,1,1) |
| 28.16 | 3.1692 | 21.0 | (1,0,1) |
| 28.16 | 3.1692 | 21.0 | (1,0,-2) |
| 31.39 | 2.8501 | 100.0 | (1,-1,0) |
| 33.53 | 2.6726 | 92.9 | (1,-1,1) |
| 34.99 | 2.5647 | 40.2 | (0,0,3) |
| 36.74 | 2.4461 | 53.5 | (0,1,-3) |
| 36.74 | 2.4461 | 53.4 | (1,0,2) |
| 39.34 | 2.2901 | 93.8 | (1,-1,2) |
| 44.98 | 2.0153 | 42.1 | (0,2,-1) |
| 44.98 | 2.0152 | 42.1 | (2,0,-1) |
| 46.59 | 1.9496 | 1.9 | (0,2,-2) |
| 47.70 | 1.9065 | 17.9 | (1,-1,3) |
| 51.17 | 1.7852 | 2.4 | (0,2,-3) |
| 51.17 | 1.7852 | 2.4 | (0,2,1) |
| 51.17 | 1.7851 | 4.7 | (2,0,1) |
| 53.91 | 1.7006 | 14.1 | (1,-2,2) |
| 53.92 | 1.7006 | 7.1 | (2,-1,1) |
| 53.92 | 1.7006 | 7.1 | (2,-1,-2) |
Energy Properties
Formation Energy/atom
-0.78446
eV/atom
Energy/atom
-20.12985
eV/atom
Energy above Hull
0.0224
eV/atom
Uncorrected Energy
-6.3794
eV/atom
Volume/atom
20.83
ų
c/a Ratio
2.0357
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8301
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.030640
μB/ų
Elastic Properties
KVRH
83.674
GPa
GVRH
52.086
GPa
Young's Modulus E
129.407
GPa
Poisson Ratio ν
0.242
Pugh Ratio K/G
1.606
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.821
Lame λ
48.950
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
1.5712
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.732%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3716
smaller = more stable mixing
VEC
5.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.265
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-10078
Reference Citation
The crystal structure and related material properties of TbTiGe were obtained from the Materials Project database (MP-ID: mp-10078, 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_TbTiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03047922
_cell_length_b 4.03067434
_cell_length_c 8.20502440
_cell_angle_alpha 104.21861678
_cell_angle_beta 104.21790175
_cell_angle_gamma 90.00000248
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbTiGe
_chemical_formula_sum 'Tb2 Ti2 Ge2'
_cell_volume 124.99538632
_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 0.67466127 0.67466127 0.34932254 1.0
Tb Tb1 1 0.32533873 0.32533873 0.65067746 1.0
Ti Ti2 1 0.00000000 0.50000000 0.00000000 1.0
Ti Ti3 1 0.50000000 -0.00000000 0.00000000 1.0
Ge Ge4 1 0.12281684 0.12281684 0.24563469 1.0
Ge Ge5 1 0.87718316 0.87718316 0.75436531 1.0
