Basic Information
Formula
VN
MP-ID
mp-1002105
Elements
2
Sites
2
Density
6.5188
g/cm³
Volume
16.54
ų
Cell a
2.5481
Å
Cell b
2.5481
Å
Cell c
2.5481
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 5)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 35.22 | 2.5481 | 53.9 | (1,0,0) |
| 50.66 | 1.8018 | 100.0 | (1,1,0) |
| 63.21 | 1.4712 | 12.8 | (1,1,1) |
| 74.47 | 1.2741 | 13.4 | (2,0,0) |
| 85.14 | 1.1396 | 16.1 | (2,1,0) |
Energy Properties
Formation Energy/atom
-0.67416
eV/atom
Energy/atom
-12.28332
eV/atom
Energy above Hull
0.6784
eV/atom
Uncorrected Energy
-9.1934
eV/atom
Volume/atom
8.27
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
KVRH
318.361
GPa
GVRH
228.608
GPa
Young's Modulus E
553.370
GPa
Poisson Ratio ν
0.210
Pugh Ratio K/G
1.393
Vickers Hardness Est.
29.570
GPa
Ductility
Ductile
Anisotropy
2.108
Lame λ
165.956
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
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.1080
Homogeneous Poisson ν
0.2100
Debye Temperature
963.2
K
Sound Velocity
6,545.0
m/s
Homogeneity
0.2100
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1002105
Reference Citation
The crystal structure and related material properties of VN were obtained from the Materials Project database (MP-ID: mp-1002105, 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 2.54810400
_cell_length_b 2.54810400
_cell_length_c 2.54810400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN
_chemical_formula_sum 'V1 N1'
_cell_volume 16.54441627
_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 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.50000000 0.50000000 0.50000000 1.0
