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VP2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9923 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula
VP2
MP-ID
mp-9923
Elements
2
Sites
6
Density
4.5844
g/cm³
Volume
81.78
ų
Cell a
3.1149
Å
Cell b
4.4845
Å
Cell c
6.4735
Å
α Angle
79.26
°
β Angle
76.08
°
γ Angle
69.68
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.19 6.2432 12.0 (0,0,1)
21.26 4.1785 33.2 (0,1,0)
24.26 3.6692 7.7 (0,1,1)
26.98 3.3043 12.0 (0,1,-1)
31.19 2.8673 14.1 (1,0,0)
31.76 2.8176 6.1 (1,1,0)
33.85 2.6482 2.1 (0,1,2)
36.91 2.4353 100.0 (1,0,-1)
37.87 2.3755 21.1 (0,1,-2)
38.36 2.3466 22.6 (1,0,2)
43.31 2.0892 12.9 (0,2,0)
43.49 2.0811 29.7 (0,0,3)
43.58 2.0768 9.3 (1,-1,0)
43.58 2.0768 9.3 (1,2,1)
44.13 2.0522 10.8 (0,2,1)
44.85 2.0210 14.7 (1,-1,1)
44.85 2.0210 14.7 (1,2,0)
46.94 1.9356 17.0 (1,0,-2)
46.94 1.9356 17.0 (1,1,3)
47.25 1.9238 18.3 (1,-1,-1)
47.25 1.9238 18.3 (1,2,2)
47.42 1.9172 19.1 (0,2,-1)
48.93 1.8616 9.8 (1,0,3)
48.93 1.8616 9.8 (1,1,-2)
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Energy Properties

Formation Energy/atom
-0.63263
eV/atom
Energy/atom
-11.33054
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.3305
eV/atom
Volume/atom
13.63
ų
c/a Ratio
2.0782

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
154.817
GPa
GVRH
123.748
GPa
Young's Modulus E
293.140
GPa
Poisson Ratio ν
0.184
Pugh Ratio K/G
1.251
Vickers Hardness Est.
22.784
GPa
Ductility
Ductile
Anisotropy
0.268
Lame λ
72.318
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
P · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2680
Homogeneous Poisson ν
0.1840
Debye Temperature
713.5
K
Sound Velocity
5,726.3
m/s
Homogeneity
0.1840

Related Tasks

Related computation task IDs (5)
aaadmqro aaaemrpf aaaeummi aaafaeps aaafdgqx

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-9923
Reference Citation

The crystal structure and related material properties of VP2 were obtained from the Materials Project database (MP-ID: mp-9923, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_VP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11490488
_cell_length_b   4.48447274
_cell_length_c   6.47346422
_cell_angle_alpha   79.26200984
_cell_angle_beta   76.07862143
_cell_angle_gamma   69.67781917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2
_chemical_formula_sum   'V2 P4'
_cell_volume   81.78032094
_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  0.84346137  0.61471022  0.69836705  1.0
  V  V1  1  0.15653863  0.38528978  0.30163295  1.0
  P  P2  1  0.14228611  0.74571797  0.96971180  1.0
  P  P3  1  0.85771389  0.25428203  0.03028820  1.0
  P  P4  1  0.39948099  0.79799116  0.40304786  1.0
  P  P5  1  0.60051901  0.20200884  0.59695214  1.0
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