Basic Information
Formula
VCoTe
MP-ID
mp-1008631
Elements
3
Sites
3
Density
7.8198
g/cm³
Volume
50.43
ų
Cell a
4.1470
Å
Cell b
4.1470
Å
Cell c
4.1470
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 |
|---|---|---|---|
| 26.32 | 3.3860 | 44.1 | (1,1,1) |
| 30.48 | 2.9323 | 30.8 | (1,1,0) |
| 43.65 | 2.0735 | 100.0 | (2,1,1) |
| 51.69 | 1.7683 | 20.8 | (2,2,1) |
| 54.18 | 1.6930 | 7.9 | (2,2,2) |
| 63.45 | 1.4662 | 15.6 | (2,2,0) |
| 69.92 | 1.3455 | 8.3 | (3,1,1) |
| 72.01 | 1.3114 | 10.0 | (3,2,1) |
| 80.18 | 1.1971 | 30.9 | (3,3,2) |
| 86.16 | 1.1287 | 6.5 | (3,3,1) |
Energy Properties
Formation Energy/atom
-0.15360
eV/atom
Energy/atom
-6.60714
eV/atom
Energy above Hull
0.2436
eV/atom
Uncorrected Energy
-6.4665
eV/atom
Volume/atom
16.81
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
1.9978
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.039620
μB/ų
Elastic Properties
KVRH
143.581
GPa
GVRH
40.650
GPa
Young's Modulus E
111.434
GPa
Poisson Ratio ν
0.371
Pugh Ratio K/G
3.532
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.127
Lame λ
116.481
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.392
Family
V-rich Multi-Component
Matrix Element
V · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008631
Reference Citation
The crystal structure and related material properties of VCoTe were obtained from the Materials Project database (MP-ID: mp-1008631, 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_VCoTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14694651
_cell_length_b 4.14694651
_cell_length_c 4.14694651
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCoTe
_chemical_formula_sum 'V1 Co1 Te1'
_cell_volume 50.42783273
_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
Te Te2 1 0.75000000 0.75000000 0.75000000 1.0
