Basic Information
Formula
VCo3
MP-ID
mp-1017529
Elements
2
Sites
4
Density
8.9924
g/cm³
Volume
42.05
ų
Cell a
3.4775
Å
Cell b
3.4775
Å
Cell c
3.4775
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 3)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 45.16 | 2.0078 | 100.0 | (1,1,1) |
| 52.64 | 1.7388 | 45.9 | (2,0,0) |
| 77.66 | 1.2295 | 26.2 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.01280
eV/atom
Energy/atom
-13.43527
eV/atom
Energy above Hull
0.0873
eV/atom
Uncorrected Energy
-13.4353
eV/atom
Volume/atom
10.51
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0005
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
239.242
GPa
GVRH
154.123
GPa
Young's Modulus E
380.633
GPa
Poisson Ratio ν
0.235
Pugh Ratio K/G
1.552
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.413
Lame λ
136.493
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.828
Family
Co-based Alloy
Matrix Element
Co · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017529
Reference Citation
The crystal structure and related material properties of VCo3 were obtained from the Materials Project database (MP-ID: mp-1017529, 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_VCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47753287
_cell_length_b 3.47753287
_cell_length_c 3.47753287
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCo3
_chemical_formula_sum 'V1 Co3'
_cell_volume 42.05462174
_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
Co Co1 1 0.50000000 0.50000000 0.00000000 1.0
Co Co2 1 0.50000000 0.00000000 0.50000000 1.0
Co Co3 1 0.00000000 0.50000000 0.50000000 1.0
