Basic Information
Formula
V2GeC
MP-ID
mp-9957
Elements
3
Sites
8
Density
6.5872
g/cm³
Volume
94.05
ų
Cell a
3.0053
Å
Cell b
3.0053
Å
Cell c
12.0236
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 |
|---|---|---|---|
| 14.74 | 6.0118 | 3.9 | (0,0,0,2) |
| 29.72 | 3.0059 | 1.5 | (0,0,0,4) |
| 34.46 | 2.6027 | 11.0 | (1,0,-1,0) |
| 34.46 | 2.6027 | 11.0 | (1,-1,0,0) |
| 34.46 | 2.6027 | 11.0 | (0,1,-1,0) |
| 35.28 | 2.5438 | 1.3 | (1,0,-1,1) |
| 35.28 | 2.5437 | 2.5 | (1,-1,0,1) |
| 37.66 | 2.3884 | 2.0 | (1,0,-1,2) |
| 37.66 | 2.3884 | 4.0 | (1,-1,0,2) |
| 41.36 | 2.1828 | 50.0 | (1,0,-1,3) |
| 41.36 | 2.1828 | 100.0 | (1,-1,0,3) |
| 45.25 | 2.0039 | 22.2 | (0,0,0,6) |
| 51.76 | 1.7662 | 1.6 | (1,0,-1,5) |
| 51.76 | 1.7662 | 3.2 | (1,-1,0,5) |
| 58.09 | 1.5878 | 6.8 | (1,0,-1,6) |
| 58.09 | 1.5878 | 13.6 | (1,-1,0,6) |
| 61.72 | 1.5030 | 1.3 | (0,0,0,8) |
| 61.73 | 1.5027 | 10.4 | (2,-1,-1,0) |
| 61.73 | 1.5027 | 10.4 | (1,1,-2,0) |
| 61.73 | 1.5026 | 10.4 | (1,-2,1,0) |
| 72.66 | 1.3013 | 1.2 | (2,0,-2,0) |
| 72.66 | 1.3013 | 1.2 | (2,-2,0,0) |
| 72.66 | 1.3013 | 1.2 | (0,2,-2,0) |
| 77.05 | 1.2377 | 7.1 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
-0.48346
eV/atom
Energy/atom
-8.48892
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.5229
eV/atom
Volume/atom
11.76
ų
c/a Ratio
4.0008
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
179.763
GPa
GVRH
104.264
GPa
Young's Modulus E
262.116
GPa
Poisson Ratio ν
0.257
Pugh Ratio K/G
1.724
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.429
Lame λ
110.254
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.250
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.3742
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.144%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3769
smaller = more stable mixing
VEC
4.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-54.284
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9957
Reference Citation
The crystal structure and related material properties of V2GeC were obtained from the Materials Project database (MP-ID: mp-9957, 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_V2GeC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00529066
_cell_length_b 3.00528956
_cell_length_c 12.02357358
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000090
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2GeC
_chemical_formula_sum 'V4 Ge2 C2'
_cell_volume 94.04527860
_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
V V0 1 0.66666700 0.33333300 0.58915460 1.0
V V1 1 0.33333300 0.66666700 0.41084540 1.0
V V2 1 0.33333300 0.66666700 0.08915460 1.0
V V3 1 0.66666700 0.33333300 0.91084540 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
