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VNi2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11531 · Space group: Immm (#71)

Basic Information

Formula
VNi2
MP-ID
mp-11531
Elements
2
Sites
3
Density
8.3828
g/cm³
Volume
33.34
ų
Cell a
2.5061
Å
Cell b
3.5264
Å
Cell c
4.3488
Å
α Angle
113.91
°
β Angle
106.75
°
γ Angle
90.00
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 18)
2θd (Å)Ihkl
23.58 3.7730 4.5 (0,0,1)
27.93 3.1950 2.1 (0,1,0)
27.93 3.1945 2.0 (0,1,-1)
37.83 2.3784 1.0 (1,0,0)
37.83 2.3784 1.0 (1,0,-1)
44.23 2.0480 100.0 (0,1,1)
44.23 2.0476 99.9 (0,1,-2)
44.34 2.0429 99.2 (1,1,-1)
44.34 2.0427 99.2 (1,-1,0)
51.47 1.7754 61.9 (1,0,1)
51.47 1.7754 61.9 (1,0,-2)
51.86 1.7632 60.5 (0,2,-1)
75.61 1.2577 17.8 (0,0,3)
75.94 1.2531 17.6 (2,0,-1)
76.07 1.2512 17.5 (1,2,0)
76.08 1.2511 17.5 (1,-2,-1)
76.09 1.2510 17.5 (1,2,-3)
76.09 1.2509 17.5 (1,-2,2)
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Energy Properties

Formation Energy/atom
-0.21683
eV/atom
Energy/atom
-12.90117
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.9012
eV/atom
Volume/atom
11.11
ų
c/a Ratio
-

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
229.507
GPa
GVRH
85.560
GPa
Young's Modulus E
228.309
GPa
Poisson Ratio ν
0.334
Pugh Ratio K/G
2.682
Vickers Hardness Est.
5.512
GPa
Ductility
Brittle
Anisotropy
1.546
Lame λ
172.467
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.913
Family
Ni-based Alloy
Matrix Element
Ni · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.5460
Homogeneous Poisson ν
0.3340
Debye Temperature
478.1
K
Sound Velocity
3,584.4
m/s
Homogeneity
0.3340

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11531
Reference Citation

The crystal structure and related material properties of VNi2 were obtained from the Materials Project database (MP-ID: mp-11531, 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_VNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.50613763
_cell_length_b   3.52635365
_cell_length_c   4.34880479
_cell_angle_alpha   113.90890135
_cell_angle_beta   106.74779785
_cell_angle_gamma   89.99666056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2
_chemical_formula_sum   'V1 Ni2'
_cell_volume   33.34404370
_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
  Ni  Ni1  1  0.66808868  0.66804345  0.33617563  1.0
  Ni  Ni2  1  0.33191132  0.33195655  0.66382437  1.0
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