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VSb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7821 · Space group: P6_3/mmc (#194)

Basic Information

Formula
VSb
MP-ID
mp-7821
Elements
2
Sites
4
Density
6.9111
g/cm³
Volume
82.99
ų
Cell a
4.1401
Å
Cell b
4.1401
Å
Cell c
5.5909
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
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 22)
2θd (Å)Ihkl
29.60 3.0181 100.0 (1,0,-1,1)
29.60 3.0181 50.0 (1,-1,0,1)
32.02 2.7955 9.1 (0,0,0,2)
40.94 2.2046 68.2 (1,0,-1,2)
43.73 2.0700 22.5 (1,1,-2,0)
43.73 2.0700 44.9 (2,-1,-1,0)
53.69 1.7071 27.6 (2,0,-2,1)
55.21 1.6636 12.4 (2,-1,-1,2)
55.58 1.6536 24.8 (1,0,-1,3)
61.44 1.5091 19.2 (2,0,-2,2)
66.95 1.3977 6.0 (0,0,0,4)
71.66 1.3170 15.3 (3,-1,-2,1)
71.66 1.3170 7.7 (3,-2,-1,1)
73.27 1.2920 10.8 (2,0,-2,3)
78.43 1.2194 18.4 (3,-1,-2,2)
80.34 1.1951 7.1 (3,0,-3,0)
80.34 1.1951 3.6 (3,-3,0,0)
83.44 1.1584 19.4 (2,-1,-1,4)
89.10 1.0989 2.4 (3,0,-3,2)
89.10 1.0989 1.2 (3,-3,0,2)
89.40 1.0960 9.0 (3,-1,-2,3)
89.40 1.0960 4.5 (3,-2,-1,3)
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Energy Properties

Formation Energy/atom
-0.05604
eV/atom
Energy/atom
-19.95399
eV/atom
Energy above Hull
0.1195
eV/atom
Uncorrected Energy
-6.6110
eV/atom
Volume/atom
20.75
ų
c/a Ratio
1.3504

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.9001
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.034940
μB/ų

Elastic Properties

KVRH
91.597
GPa
GVRH
45.452
GPa
Young's Modulus E
117.003
GPa
Poisson Ratio ν
0.287
Pugh Ratio K/G
2.015
Vickers Hardness Est.
5.216
GPa
Ductility
Brittle
Anisotropy
2.105
Lame λ
61.296
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
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.710
Family
Binary Alloy
Matrix Element
V · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.1050
Homogeneous Poisson ν
0.2870
Debye Temperature
309.8
K
Sound Velocity
2,859.9
m/s
Homogeneity
0.2870

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7821
Reference Citation

The crystal structure and related material properties of VSb were obtained from the Materials Project database (MP-ID: mp-7821, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14005765
_cell_length_b   4.14005765
_cell_length_c   5.59091900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSb
_chemical_formula_sum   'V2 Sb2'
_cell_volume   82.99016618
_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
  Sb  Sb2  1  0.33333300  0.66666700  0.75000000  1.0
  Sb  Sb3  1  0.66666700  0.33333300  0.25000000  1.0
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