VTe
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-10256 · Space group: P6_3/mmc (#194)
Basic Information
Formula
VTe
MP-ID
mp-10256
Elements
2
Sites
4
Density
6.6812
g/cm³
Volume
88.75
ų
Cell a
4.1159
Å
Cell b
4.1159
Å
Cell c
6.0492
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
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 |
|---|---|---|---|
| 29.08 | 3.0710 | 100.0 | (1,0,-1,1) |
| 29.53 | 3.0246 | 7.4 | (0,0,0,2) |
| 39.06 | 2.3062 | 48.8 | (1,0,-1,2) |
| 44.00 | 2.0580 | 41.6 | (2,-1,-1,0) |
| 52.11 | 1.7550 | 19.4 | (1,0,-1,3) |
| 53.61 | 1.7096 | 11.9 | (2,0,-2,1) |
| 53.61 | 1.7096 | 5.9 | (2,-2,0,1) |
| 53.88 | 1.7015 | 8.8 | (2,-1,-1,2) |
| 60.27 | 1.5355 | 8.6 | (2,0,-2,2) |
| 60.27 | 1.5355 | 4.3 | (2,-2,0,2) |
| 61.30 | 1.5123 | 5.0 | (0,0,0,4) |
| 70.52 | 1.3354 | 5.2 | (2,0,-2,3) |
| 70.52 | 1.3354 | 2.6 | (2,-2,0,3) |
| 71.78 | 1.3150 | 9.8 | (3,-1,-2,1) |
| 71.78 | 1.3150 | 4.9 | (3,-2,-1,1) |
| 77.57 | 1.2307 | 7.9 | (3,-1,-2,2) |
| 77.57 | 1.2307 | 3.9 | (3,-2,-1,2) |
| 78.49 | 1.2186 | 4.8 | (1,1,-2,4) |
| 78.49 | 1.2186 | 9.5 | (2,-1,-1,4) |
| 80.91 | 1.1882 | 4.4 | (3,0,-3,0) |
| 80.91 | 1.1882 | 2.2 | (3,-3,0,0) |
| 84.58 | 1.1456 | 4.8 | (1,0,-1,5) |
| 86.97 | 1.1202 | 9.0 | (3,-1,-2,3) |
| 88.39 | 1.1059 | 1.6 | (3,0,-3,2) |
Energy Properties
Formation Energy/atom
-0.37814
eV/atom
Energy/atom
-6.49174
eV/atom
Energy above Hull
0.1504
eV/atom
Uncorrected Energy
-6.2807
eV/atom
Volume/atom
22.19
ų
c/a Ratio
1.4697
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.0532
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.056940
μB/ų
Elastic Properties
KVRH
62.066
GPa
GVRH
40.094
GPa
Young's Modulus E
98.971
GPa
Poisson Ratio ν
0.234
Pugh Ratio K/G
1.548
Vickers Hardness Est.
7.394
GPa
Ductility
Ductile
Anisotropy
0.767
Lame λ
35.337
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.609
Family
Binary Alloy
Matrix Element
V · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7670
Homogeneous Poisson ν
0.2340
Debye Temperature
436.8
K
Sound Velocity
2,714.7
m/s
Homogeneity
0.2340
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10256
Reference Citation
The crystal structure and related material properties of VTe were obtained from the Materials Project database (MP-ID: mp-10256, 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_VTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11593365
_cell_length_b 4.11593365
_cell_length_c 6.04917300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999437
_symmetry_Int_Tables_number 1
_chemical_formula_structural VTe
_chemical_formula_sum 'V2 Te2'
_cell_volume 88.74898437
_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 0.00000000 0.00000000 0.00000000 1.0
V V1 1 0.00000000 0.00000000 0.50000000 1.0
Te Te2 1 0.33333300 0.66666700 0.25000000 1.0
Te Te3 1 0.66666700 0.33333300 0.75000000 1.0
