Basic Information
Formula
Ti2GeC
MP-ID
mp-9958
Elements
3
Sites
8
Density
5.6192
g/cm³
Volume
106.61
ų
Cell a
3.0873
Å
Cell b
3.0873
Å
Cell c
12.9156
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.71 | 6.4578 | 5.6 | (0,0,0,2) |
| 27.63 | 3.2289 | 2.2 | (0,0,0,4) |
| 33.52 | 2.6737 | 20.8 | (1,0,-1,0) |
| 33.52 | 2.6737 | 10.4 | (0,1,-1,0) |
| 34.25 | 2.6182 | 3.3 | (1,0,-1,1) |
| 34.25 | 2.6182 | 1.6 | (0,1,-1,1) |
| 36.37 | 2.4703 | 4.6 | (1,0,-1,2) |
| 36.37 | 2.4703 | 2.3 | (0,1,-1,2) |
| 39.68 | 2.2713 | 100.0 | (1,0,-1,3) |
| 39.68 | 2.2713 | 50.0 | (0,1,-1,3) |
| 41.97 | 2.1526 | 24.5 | (0,0,0,6) |
| 49.04 | 1.8577 | 5.9 | (1,0,-1,5) |
| 54.75 | 1.6767 | 22.0 | (1,0,-1,6) |
| 57.05 | 1.6145 | 1.6 | (0,0,0,8) |
| 59.92 | 1.5437 | 10.2 | (2,-1,-1,0) |
| 59.92 | 1.5437 | 20.4 | (1,1,-2,0) |
| 61.79 | 1.5014 | 1.0 | (1,1,-2,2) |
| 70.43 | 1.3368 | 2.3 | (2,0,-2,0) |
| 70.43 | 1.3368 | 1.1 | (0,2,-2,0) |
| 74.29 | 1.2767 | 14.0 | (2,0,-2,3) |
| 74.29 | 1.2767 | 7.0 | (0,2,-2,3) |
| 75.13 | 1.2644 | 19.2 | (1,0,-1,9) |
| 75.84 | 1.2544 | 7.8 | (2,-1,-1,6) |
| 75.84 | 1.2544 | 15.6 | (1,1,-2,6) |
Energy Properties
Formation Energy/atom
-0.88055
eV/atom
Energy/atom
-13.30423
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.3042
eV/atom
Volume/atom
13.33
ų
c/a Ratio
4.1835
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
154.628
GPa
GVRH
105.974
GPa
Young's Modulus E
258.799
GPa
Poisson Ratio ν
0.221
Pugh Ratio K/G
1.459
Vickers Hardness Est.
16.669
GPa
Ductility
Ductile
Anisotropy
0.059
Lame λ
83.979
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ti · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.250
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0590
Homogeneous Poisson ν
0.2210
Debye Temperature
603.3
K
Sound Velocity
4,805.3
m/s
Homogeneity
0.2210
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9958
Reference Citation
The crystal structure and related material properties of Ti2GeC were obtained from the Materials Project database (MP-ID: mp-9958, 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_Ti2GeC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08729383
_cell_length_b 3.08729291
_cell_length_c 12.91561085
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000997
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2GeC
_chemical_formula_sum 'Ti4 Ge2 C2'
_cell_volume 106.61083373
_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
Ti Ti0 1 0.66666700 0.33333300 0.58934092 1.0
Ti Ti1 1 0.33333300 0.66666700 0.41065908 1.0
Ti Ti2 1 0.33333300 0.66666700 0.08934092 1.0
Ti Ti3 1 0.66666700 0.33333300 0.91065908 1.0
Ge Ge4 1 0.66666700 0.33333300 0.25000000 1.0
Ge Ge5 1 0.33333300 0.66666700 0.75000000 1.0
C C6 1 0.00000000 0.00000000 0.50000000 1.0
C C7 1 0.00000000 -0.00000000 -0.00000000 1.0
