Basic Information
Formula
VP
MP-ID
mp-1114
Elements
2
Sites
4
Density
5.1109
g/cm³
Volume
53.23
ų
Cell a
3.1525
Å
Cell b
3.1525
Å
Cell c
6.1845
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.87 | 3.0923 | 5.0 | (0,0,0,2) |
| 32.80 | 2.7302 | 34.9 | (1,0,-1,0) |
| 35.96 | 2.4976 | 20.5 | (1,-1,0,1) |
| 35.96 | 2.4976 | 10.3 | (1,0,-1,1) |
| 44.26 | 2.0466 | 100.0 | (1,0,-1,2) |
| 55.89 | 1.6452 | 7.8 | (1,0,-1,3) |
| 58.56 | 1.5763 | 10.3 | (1,-2,1,0) |
| 58.56 | 1.5763 | 20.5 | (2,-1,-1,0) |
| 59.82 | 1.5461 | 9.6 | (0,0,0,4) |
| 66.59 | 1.4043 | 1.4 | (2,-1,-1,2) |
| 68.77 | 1.3651 | 2.1 | (2,-2,0,0) |
| 68.77 | 1.3651 | 1.1 | (2,0,-2,0) |
| 69.92 | 1.3454 | 6.1 | (1,0,-1,4) |
| 70.67 | 1.3330 | 2.6 | (2,-2,0,1) |
| 70.67 | 1.3330 | 1.3 | (2,0,-2,1) |
| 76.24 | 1.2488 | 5.9 | (2,-2,0,2) |
| 76.24 | 1.2488 | 5.9 | (0,2,-2,2) |
| 76.24 | 1.2488 | 5.9 | (2,0,-2,2) |
| 85.27 | 1.1382 | 1.6 | (2,-2,0,3) |
| 86.35 | 1.1267 | 2.4 | (1,0,-1,5) |
| 88.60 | 1.1038 | 6.3 | (1,-2,1,4) |
| 88.60 | 1.1038 | 12.5 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
-0.86150
eV/atom
Energy/atom
-12.40733
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.4073
eV/atom
Volume/atom
13.31
ų
c/a Ratio
1.9618
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0002
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
169.325
GPa
GVRH
108.026
GPa
Young's Modulus E
267.246
GPa
Poisson Ratio ν
0.237
Pugh Ratio K/G
1.567
Vickers Hardness Est.
15.292
GPa
Ductility
Ductile
Anisotropy
2.200
Lame λ
97.308
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
2.2000
Homogeneous Poisson ν
0.2370
Debye Temperature
640.1
K
Sound Velocity
5,096.3
m/s
Homogeneity
0.2370
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1114
Reference Citation
The crystal structure and related material properties of VP were obtained from the Materials Project database (MP-ID: mp-1114, 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_VP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15250195
_cell_length_b 3.15250233
_cell_length_c 6.18450060
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000721
_symmetry_Int_Tables_number 1
_chemical_formula_structural VP
_chemical_formula_sum 'V2 P2'
_cell_volume 53.22871920
_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
P P2 1 0.33333300 0.66666700 0.25000000 1.0
P P3 1 0.66666700 0.33333300 0.75000000 1.0
