VN

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1017532 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1017532

Elements

Sites

Density

6.1832

g/cm³

Volume

34.88

Å³

Cell a

2.7543

Cell b

2.7543

Cell c

5.3097

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

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
33.76	2.6548	26.0	(0,0,0,2)
37.71	2.3853	26.9	(1,-1,0,0)
37.71	2.3853	53.7	(1,0,-1,0)
41.50	2.1758	2.6	(1,-1,0,1)
41.50	2.1758	5.2	(1,0,-1,1)
51.50	1.7743	100.0	(1,0,-1,2)
65.69	1.4214	1.2	(1,0,-1,3)
68.08	1.3772	23.3	(2,-1,-1,0)
71.01	1.3274	6.7	(0,0,0,4)
78.19	1.2225	8.7	(2,-1,-1,2)
78.19	1.2225	4.3	(1,1,-2,2)
80.54	1.1927	7.6	(2,0,-2,0)
83.31	1.1599	13.9	(1,0,-1,4)

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Energy Properties

Formation Energy/atom

-1.24457

eV/atom

Energy/atom

-12.85373

eV/atom

Energy above Hull

0.1080

eV/atom

Uncorrected Energy

-9.7638

eV/atom

Volume/atom

8.72

Å³

c/a Ratio

1.9278

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

323.541

GPa

G_VRH

215.041

GPa

Young's Modulus E

528.119

GPa

Poisson Ratio ν

0.228

Pugh Ratio K/G

1.505

Vickers Hardness Est.

25.707

GPa

Ductility

Ductile

Anisotropy

0.565

Lame λ

180.180

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

0.500

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.762

Family

Binary Alloy

Matrix Element

V · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5650

Homogeneous Poisson ν

0.2280

Debye Temperature

944.3

Sound Velocity

6,530.6

m/s

Homogeneity

0.2280

Related Tasks

Related computation task IDs (5)

aaadddwu aaadnott aaadwoaz aaaetqil aaafiudg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1017532

Reference Citation

The crystal structure and related material properties of VN were obtained from the Materials Project database (MP-ID: mp-1017532, 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   2.75433022
_cell_length_b   2.75433022
_cell_length_c   5.30968200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VN
_chemical_formula_sum   'V2 N2'
_cell_volume   34.88439005
_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  0.50000000  1.0
  V  V1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.33333300  0.66666700  0.25000000  1.0
  N  N3  1  0.66666700  0.33333300  0.75000000  1.0

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