Basic Information
Formula
VN
MP-ID
mp-1018027
Elements
2
Sites
2
Density
6.3081
g/cm³
Volume
17.10
ų
Cell a
2.7339
Å
Cell b
2.7339
Å
Cell c
2.6414
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.94 | 2.6414 | 76.3 | (0,0,0,1) |
| 38.01 | 2.3676 | 83.4 | (1,-1,0,0) |
| 38.01 | 2.3676 | 83.4 | (1,0,-1,0) |
| 38.01 | 2.3676 | 83.4 | (0,1,-1,0) |
| 51.86 | 1.7630 | 100.0 | (1,-1,0,1) |
| 51.86 | 1.7630 | 100.0 | (1,0,-1,1) |
| 51.86 | 1.7630 | 100.0 | (0,1,-1,1) |
| 68.66 | 1.3670 | 22.4 | (2,-1,-1,0) |
| 68.66 | 1.3670 | 22.4 | (1,-2,1,0) |
| 68.66 | 1.3670 | 22.4 | (1,1,-2,0) |
| 71.43 | 1.3207 | 19.6 | (0,0,0,2) |
| 78.84 | 1.2140 | 12.6 | (2,-1,-1,1) |
| 78.84 | 1.2140 | 12.6 | (1,-2,1,1) |
| 78.84 | 1.2140 | 12.6 | (1,1,-2,1) |
| 81.27 | 1.1838 | 7.7 | (2,-2,0,0) |
| 81.27 | 1.1838 | 7.7 | (2,0,-2,0) |
| 81.27 | 1.1838 | 7.7 | (0,2,-2,0) |
| 83.89 | 1.1534 | 28.2 | (1,0,-1,2) |
| 83.89 | 1.1534 | 14.1 | (0,1,-1,2) |
Energy Properties
Formation Energy/atom
-1.35253
eV/atom
Energy/atom
-12.96169
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.9617
eV/atom
Volume/atom
8.55
ų
c/a Ratio
0.9662
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
334.002
GPa
GVRH
255.479
GPa
Young's Modulus E
610.723
GPa
Poisson Ratio ν
0.195
Pugh Ratio K/G
1.307
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.195
Lame λ
163.683
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.834
Family
Binary Alloy
Matrix Element
V · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018027
Reference Citation
The crystal structure and related material properties of VN were obtained from the Materials Project database (MP-ID: mp-1018027, 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_VN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73389766
_cell_length_b 2.73389467
_cell_length_c 2.64135023
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00004850
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN
_chemical_formula_sum 'V1 N1'
_cell_volume 17.09702086
_cell_formula_units_Z 1
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 0.00001834 0.00003768 -0.00000000 1.0
N N1 1 0.66668166 0.33336232 0.50000000 1.0
