Mg6GaCo
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1022065 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6GaCo
MP-ID
mp-1022065
Elements
3
Sites
16
Density
3.0564
g/cm³
Volume
298.25
ų
Cell a
4.7635
Å
Cell b
6.0402
Å
Cell c
10.3659
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 |
|---|---|---|---|
| 17.11 | 5.1830 | 25.6 | (0,0,2) |
| 18.63 | 4.7635 | 18.3 | (1,0,0) |
| 25.31 | 3.5183 | 1.1 | (1,1,1) |
| 25.40 | 3.5072 | 15.3 | (1,0,2) |
| 29.58 | 3.0201 | 6.1 | (0,2,0) |
| 34.37 | 2.6094 | 30.3 | (0,2,2) |
| 34.61 | 2.5915 | 14.5 | (0,0,4) |
| 35.18 | 2.5507 | 7.5 | (1,2,0) |
| 37.77 | 2.3818 | 36.8 | (2,0,0) |
| 39.37 | 2.2886 | 100.0 | (1,2,2) |
| 39.59 | 2.2764 | 49.6 | (1,0,4) |
| 41.74 | 2.1642 | 5.3 | (2,0,2) |
| 46.16 | 1.9667 | 2.6 | (0,2,4) |
| 48.69 | 1.8702 | 2.9 | (2,2,0) |
| 50.19 | 1.8179 | 6.9 | (1,2,4) |
| 51.98 | 1.7592 | 17.8 | (2,2,2) |
| 52.16 | 1.7536 | 8.6 | (2,0,4) |
| 53.00 | 1.7277 | 1.1 | (0,0,6) |
| 56.68 | 1.6241 | 2.0 | (1,0,6) |
| 61.03 | 1.5182 | 1.2 | (3,0,2) |
| 61.11 | 1.5165 | 2.1 | (2,2,4) |
| 61.40 | 1.5101 | 8.2 | (0,4,0) |
| 61.87 | 1.4996 | 15.9 | (0,2,6) |
| 64.25 | 1.4498 | 1.4 | (0,4,2) |
Energy Properties
Formation Energy/atom
0.10526
eV/atom
Energy/atom
-2.38778
eV/atom
Energy above Hull
0.1726
eV/atom
Uncorrected Energy
-2.3878
eV/atom
Volume/atom
18.64
ų
c/a Ratio
2.1761
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.8214
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006110
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
0.3683
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.675%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2323
smaller = more stable mixing
VEC
3.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-15.795
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.714
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-1022065
Reference Citation
The crystal structure and related material properties of Mg6GaCo were obtained from the Materials Project database (MP-ID: mp-1022065, 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_Mg6GaCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76350600
_cell_length_b 6.04024000
_cell_length_c 10.36589000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6GaCo
_chemical_formula_sum 'Mg12 Ga2 Co2'
_cell_volume 298.25484515
_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 0.50000000 0.25128000 0.08375300 1.0
Mg Mg1 1 0.50000000 0.74872000 0.08375300 1.0
Mg Mg2 1 0.00000000 0.23975800 0.91164900 1.0
Mg Mg3 1 0.00000000 0.76024200 0.91164900 1.0
Mg Mg4 1 0.00000000 0.50000000 0.17520200 1.0
Mg Mg5 1 0.00000000 0.50000000 0.66872900 1.0
Mg Mg6 1 0.50000000 0.75128000 0.58375300 1.0
Mg Mg7 1 0.50000000 0.24872000 0.58375300 1.0
Mg Mg8 1 0.00000000 0.73975800 0.41164900 1.0
Mg Mg9 1 0.00000000 0.26024200 0.41164900 1.0
Mg Mg10 1 0.00000000 0.00000000 0.67520200 1.0
Mg Mg11 1 0.00000000 0.00000000 0.16872900 1.0
Ga Ga12 1 0.50000000 0.50000000 0.83205400 1.0
Ga Ga13 1 0.50000000 0.00000000 0.33205400 1.0
Co Co14 1 0.50000000 0.50000000 0.33321400 1.0
Co Co15 1 0.50000000 0.00000000 0.83321400 1.0
