Basic Information
Formula
VCoSn
MP-ID
mp-1018119
Elements
3
Sites
3
Density
7.2513
g/cm³
Volume
52.35
ų
Cell a
4.1989
Å
Cell b
4.1989
Å
Cell c
4.1989
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.99 | 3.4284 | 28.4 | (1,1,1) |
| 30.10 | 2.9691 | 43.4 | (1,1,0) |
| 43.09 | 2.0994 | 100.0 | (2,1,1) |
| 51.01 | 1.7904 | 14.1 | (2,2,1) |
| 53.45 | 1.7142 | 12.1 | (2,2,2) |
| 62.57 | 1.4845 | 16.0 | (2,2,0) |
| 68.93 | 1.3623 | 6.1 | (3,1,1) |
| 70.99 | 1.3278 | 16.0 | (3,2,1) |
| 78.99 | 1.2121 | 32.7 | (3,3,2) |
| 84.85 | 1.1428 | 5.1 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.46505
eV/atom
Energy/atom
-6.27725
eV/atom
Energy above Hull
0.5924
eV/atom
Uncorrected Energy
-6.2772
eV/atom
Volume/atom
17.45
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0021
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
KVRH
105.185
GPa
GVRH
-62.874
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-1.673
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-4.818
Lame λ
147.101
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
4.4023
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.888%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1406
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.082
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018119
Reference Citation
The crystal structure and related material properties of VCoSn were obtained from the Materials Project database (MP-ID: mp-1018119, 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_VCoSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19886936
_cell_length_b 4.19886936
_cell_length_c 4.19886936
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCoSn
_chemical_formula_sum 'V1 Co1 Sn1'
_cell_volume 52.34583006
_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 0.25000000 0.25000000 0.25000000 1.0
Co Co1 1 0.00000000 0.00000000 0.00000000 1.0
Sn Sn2 1 0.50000000 0.50000000 0.50000000 1.0
