Mg6AlCo
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1023491 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6AlCo
MP-ID
mp-1023491
Elements
3
Sites
16
Density
2.5020
g/cm³
Volume
307.61
ų
Cell a
4.8565
Å
Cell b
6.0155
Å
Cell c
10.5294
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 |
|---|---|---|---|
| 16.84 | 5.2647 | 9.4 | (0,0,2) |
| 16.98 | 5.2232 | 13.8 | (0,1,1) |
| 18.27 | 4.8565 | 5.9 | (1,0,0) |
| 24.94 | 3.5697 | 4.1 | (1,0,2) |
| 25.04 | 3.5567 | 7.5 | (1,1,1) |
| 29.46 | 3.0315 | 3.2 | (0,1,3) |
| 29.70 | 3.0078 | 1.8 | (0,2,0) |
| 34.06 | 2.6324 | 12.6 | (0,0,4) |
| 34.34 | 2.6116 | 26.8 | (0,2,2) |
| 34.89 | 2.5716 | 3.8 | (1,1,3) |
| 35.09 | 2.5571 | 2.2 | (1,2,0) |
| 37.02 | 2.4283 | 39.5 | (2,0,0) |
| 38.92 | 2.3143 | 52.3 | (1,0,4) |
| 39.17 | 2.3001 | 100.0 | (1,2,2) |
| 40.93 | 2.2050 | 1.8 | (2,0,2) |
| 40.99 | 2.2019 | 3.0 | (2,1,1) |
| 48.00 | 1.8952 | 1.5 | (2,1,3) |
| 49.55 | 1.8395 | 2.0 | (1,1,5) |
| 49.71 | 1.8342 | 2.5 | (1,2,4) |
| 49.97 | 1.8253 | 1.9 | (1,3,1) |
| 51.18 | 1.7848 | 7.5 | (2,0,4) |
| 51.38 | 1.7783 | 16.2 | (2,2,2) |
| 61.14 | 1.5158 | 16.6 | (0,2,6) |
| 61.68 | 1.5039 | 8.1 | (0,4,0) |
Energy Properties
Formation Energy/atom
0.13308
eV/atom
Energy/atom
-2.44964
eV/atom
Energy above Hull
0.2828
eV/atom
Uncorrected Energy
-2.4496
eV/atom
Volume/atom
19.23
ų
c/a Ratio
2.1681
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7034
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.005540
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
0.4301
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.899%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2001
smaller = more stable mixing
VEC
3.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.647
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
0.640
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-1023491
Reference Citation
The crystal structure and related material properties of Mg6AlCo were obtained from the Materials Project database (MP-ID: mp-1023491, 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_Mg6AlCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85652900
_cell_length_b 6.01550400
_cell_length_c 10.52939600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6AlCo
_chemical_formula_sum 'Mg12 Al2 Co2'
_cell_volume 307.61071962
_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 0.25041200 0.41677200 1.0
Mg Mg1 1 0.50000000 0.74958800 0.41677200 1.0
Mg Mg2 1 0.00000000 0.74078900 0.08739200 1.0
Mg Mg3 1 0.00000000 0.25921100 0.08739200 1.0
Mg Mg4 1 0.00000000 0.00000000 0.33127800 1.0
Mg Mg5 1 0.00000000 0.50000000 0.32465800 1.0
Mg Mg6 1 0.50000000 0.75041200 0.91677200 1.0
Mg Mg7 1 0.50000000 0.24958800 0.91677200 1.0
Mg Mg8 1 0.00000000 0.24078900 0.58739200 1.0
Mg Mg9 1 0.00000000 0.75921100 0.58739200 1.0
Mg Mg10 1 0.00000000 0.50000000 0.83127800 1.0
Mg Mg11 1 0.00000000 0.00000000 0.82465800 1.0
Al Al12 1 0.50000000 0.00000000 0.16827600 1.0
Al Al13 1 0.50000000 0.50000000 0.66827600 1.0
Co Co14 1 0.50000000 0.50000000 0.16745500 1.0
Co Co15 1 0.50000000 0.00000000 0.66745500 1.0
