Mg6VCo
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1022082 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6VCo
MP-ID
mp-1022082
Elements
3
Sites
16
Density
2.8706
g/cm³
Volume
295.83
ų
Cell a
4.5977
Å
Cell b
5.9002
Å
Cell c
10.9051
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.26 | 5.4525 | 27.5 | (0,0,2) |
| 17.09 | 5.1893 | 49.0 | (0,1,1) |
| 25.34 | 3.5149 | 3.2 | (1,0,2) |
| 25.89 | 3.4413 | 1.3 | (1,1,1) |
| 28.85 | 3.0948 | 8.8 | (0,1,3) |
| 30.30 | 2.9501 | 5.3 | (0,2,0) |
| 32.85 | 2.7263 | 1.9 | (0,0,4) |
| 34.57 | 2.5947 | 54.3 | (0,2,2) |
| 34.95 | 2.5674 | 6.6 | (1,1,3) |
| 38.39 | 2.3450 | 84.1 | (1,0,4) |
| 39.19 | 2.2989 | 47.3 | (2,0,0) |
| 39.90 | 2.2597 | 100.0 | (1,2,2) |
| 42.68 | 2.1183 | 4.3 | (2,0,2) |
| 43.03 | 2.1019 | 8.4 | (2,1,1) |
| 44.28 | 2.0457 | 1.7 | (0,1,5) |
| 45.29 | 2.0022 | 3.1 | (0,2,4) |
| 46.94 | 1.9355 | 1.8 | (0,3,1) |
| 48.72 | 1.8691 | 10.5 | (1,1,5) |
| 49.38 | 1.8454 | 3.6 | (2,1,3) |
| 49.66 | 1.8357 | 5.7 | (1,2,4) |
| 50.32 | 1.8133 | 2.3 | (2,2,0) |
| 51.21 | 1.7839 | 1.2 | (1,3,1) |
| 52.04 | 1.7575 | 1.0 | (2,0,4) |
| 52.93 | 1.7298 | 3.7 | (0,3,3) |
Energy Properties
Formation Energy/atom
0.26713
eV/atom
Energy/atom
-2.98289
eV/atom
Energy above Hull
0.3101
eV/atom
Uncorrected Energy
-2.9829
eV/atom
Volume/atom
18.49
ų
c/a Ratio
2.3718
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0078
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7356
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1160
J/mol·K
Ω Parameter
0.4979
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.792%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2026
smaller = more stable mixing
VEC
3.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.571
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.629
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1022082
Reference Citation
The crystal structure and related material properties of Mg6VCo were obtained from the Materials Project database (MP-ID: mp-1022082, 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_Mg6VCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59772800
_cell_length_b 5.90021100
_cell_length_c 10.90508700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6VCo
_chemical_formula_sum 'Mg12 V2 Co2'
_cell_volume 295.82845992
_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
Mg Mg0 1 0.00000000 0.73686100 0.08501700 1.0
Mg Mg1 1 0.00000000 0.26313900 0.08501700 1.0
Mg Mg2 1 0.00000000 0.00000000 0.32846900 1.0
Mg Mg3 1 0.50000000 0.26101400 0.41942800 1.0
Mg Mg4 1 0.50000000 0.73898600 0.41942800 1.0
Mg Mg5 1 0.50000000 0.00000000 0.16832100 1.0
Mg Mg6 1 0.00000000 0.23686100 0.58501700 1.0
Mg Mg7 1 0.00000000 0.76313900 0.58501700 1.0
Mg Mg8 1 0.00000000 0.50000000 0.82846900 1.0
Mg Mg9 1 0.50000000 0.76101400 0.91942800 1.0
Mg Mg10 1 0.50000000 0.23898600 0.91942800 1.0
Mg Mg11 1 0.50000000 0.50000000 0.66832100 1.0
V V12 1 0.50000000 0.50000000 0.19551800 1.0
V V13 1 0.50000000 0.00000000 0.69551800 1.0
Co Co14 1 0.00000000 0.50000000 0.29880200 1.0
Co Co15 1 0.00000000 0.00000000 0.79880200 1.0
