Mg6CrCd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1016619 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6CrCd
MP-ID
mp-1016619
Elements
3
Sites
16
Density
3.0121
g/cm³
Volume
342.06
ų
Cell a
5.0073
Å
Cell b
6.2710
Å
Cell c
10.8934
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 |
|---|---|---|---|
| 16.27 | 5.4467 | 35.5 | (0,0,2) |
| 16.31 | 5.4348 | 15.8 | (0,1,1) |
| 17.71 | 5.0073 | 28.2 | (1,0,0) |
| 24.14 | 3.6863 | 26.2 | (1,0,2) |
| 24.17 | 3.6826 | 15.2 | (1,1,1) |
| 28.40 | 3.1424 | 4.7 | (0,1,3) |
| 28.47 | 3.1355 | 9.0 | (0,2,0) |
| 32.89 | 2.7234 | 16.4 | (0,0,4) |
| 32.96 | 2.7174 | 32.3 | (0,2,2) |
| 33.67 | 2.6617 | 6.2 | (1,1,3) |
| 33.73 | 2.6575 | 11.4 | (1,2,0) |
| 35.87 | 2.5036 | 36.7 | (2,0,0) |
| 37.60 | 2.3924 | 50.1 | (1,0,4) |
| 37.66 | 2.3884 | 100.0 | (1,2,2) |
| 39.62 | 2.2748 | 7.5 | (2,0,2) |
| 39.63 | 2.2740 | 3.7 | (2,1,1) |
| 44.00 | 2.0580 | 1.7 | (0,1,5) |
| 44.04 | 2.0561 | 4.8 | (0,2,4) |
| 44.11 | 2.0529 | 1.7 | (0,3,1) |
| 46.37 | 1.9581 | 2.6 | (2,1,3) |
| 46.41 | 1.9565 | 4.5 | (2,2,0) |
| 47.78 | 1.9035 | 2.1 | (1,1,5) |
| 47.82 | 1.9020 | 8.8 | (1,2,4) |
| 47.89 | 1.8995 | 2.0 | (1,3,1) |
Energy Properties
Formation Energy/atom
0.13062
eV/atom
Energy/atom
-2.41886
eV/atom
Energy above Hull
0.1561
eV/atom
Uncorrected Energy
-2.4189
eV/atom
Volume/atom
21.38
ų
c/a Ratio
2.1755
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.4755
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.024780
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
0.6569
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.829%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1582
smaller = more stable mixing
VEC
3.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.674
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
B
Score
0.685
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-1016619
Reference Citation
The crystal structure and related material properties of Mg6CrCd were obtained from the Materials Project database (MP-ID: mp-1016619, 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_Mg6CrCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00728500
_cell_length_b 6.27104400
_cell_length_c 10.89341100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6CrCd
_chemical_formula_sum 'Mg12 Cr2 Cd2'
_cell_volume 342.06295910
_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 0.24831500 0.41665200 1.0
Mg Mg1 1 0.50000000 0.75168500 0.41665200 1.0
Mg Mg2 1 0.00000000 0.75593300 0.08539100 1.0
Mg Mg3 1 0.00000000 0.24406700 0.08539100 1.0
Mg Mg4 1 0.00000000 0.00000000 0.32921000 1.0
Mg Mg5 1 0.00000000 0.50000000 0.33327400 1.0
Mg Mg6 1 0.50000000 0.74831500 0.91665200 1.0
Mg Mg7 1 0.50000000 0.25168500 0.91665200 1.0
Mg Mg8 1 0.00000000 0.25593300 0.58539100 1.0
Mg Mg9 1 0.00000000 0.74406700 0.58539100 1.0
Mg Mg10 1 0.00000000 0.50000000 0.82921000 1.0
Mg Mg11 1 0.00000000 0.00000000 0.83327400 1.0
Cr Cr12 1 0.50000000 0.00000000 0.16747800 1.0
Cr Cr13 1 0.50000000 0.50000000 0.66747800 1.0
Cd Cd14 1 0.50000000 0.50000000 0.16594800 1.0
Cd Cd15 1 0.50000000 0.00000000 0.66594800 1.0
