Mg6CdSi
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017401 · Space group: Amm2 (#38)
Basic Information
Formula
Mg6CdSi
MP-ID
mp-1017401
Elements
3
Sites
16
Density
2.8067
g/cm³
Volume
338.80
ų
Cell a
5.0836
Å
Cell b
6.1394
Å
Cell c
10.8555
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 |
|---|---|---|---|
| 16.33 | 5.4277 | 19.0 | (0,0,2) |
| 16.59 | 5.3439 | 41.9 | (0,1,1) |
| 17.45 | 5.0836 | 17.0 | (1,0,0) |
| 23.98 | 3.7103 | 20.1 | (1,0,2) |
| 24.16 | 3.6832 | 35.9 | (1,1,1) |
| 28.64 | 3.1173 | 12.0 | (0,1,3) |
| 29.09 | 3.0697 | 6.0 | (0,2,0) |
| 33.01 | 2.7139 | 20.2 | (0,0,4) |
| 33.54 | 2.6720 | 21.4 | (0,2,2) |
| 33.73 | 2.6575 | 15.4 | (1,1,3) |
| 34.12 | 2.6278 | 6.9 | (1,2,0) |
| 35.31 | 2.5418 | 37.2 | (2,0,0) |
| 37.57 | 2.3941 | 38.8 | (1,0,4) |
| 38.05 | 2.3652 | 100.0 | (1,2,2) |
| 39.13 | 2.3019 | 4.5 | (2,0,2) |
| 39.25 | 2.2954 | 9.7 | (2,1,1) |
| 44.25 | 2.0469 | 4.2 | (0,1,5) |
| 44.56 | 2.0332 | 3.9 | (0,2,4) |
| 45.08 | 2.0110 | 3.2 | (0,3,1) |
| 46.08 | 1.9699 | 6.5 | (2,1,3) |
| 46.38 | 1.9578 | 3.2 | (2,2,0) |
| 47.91 | 1.8987 | 4.9 | (1,1,5) |
| 48.20 | 1.8878 | 4.5 | (1,2,4) |
| 48.69 | 1.8700 | 5.6 | (1,3,1) |
Energy Properties
Formation Energy/atom
0.06537
eV/atom
Energy/atom
-1.95565
eV/atom
Energy above Hull
0.1315
eV/atom
Uncorrected Energy
-1.9645
eV/atom
Volume/atom
21.17
ų
c/a Ratio
2.1354
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0027
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.125
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
0.3991
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.190%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2165
smaller = more stable mixing
VEC
3.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.977
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
0.701
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-1017401
Reference Citation
The crystal structure and related material properties of Mg6CdSi were obtained from the Materials Project database (MP-ID: mp-1017401, 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_Mg6CdSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08357200
_cell_length_b 6.13935600
_cell_length_c 10.85547800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg6CdSi
_chemical_formula_sum 'Mg12 Cd2 Si2'
_cell_volume 338.79792972
_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 0.24905200 0.58616600 1.0
Mg Mg1 1 0.00000000 0.75094800 0.58616600 1.0
Mg Mg2 1 0.00000000 0.50000000 0.83399300 1.0
Mg Mg3 1 0.50000000 0.75630000 0.91073300 1.0
Mg Mg4 1 0.50000000 0.24370000 0.91073300 1.0
Mg Mg5 1 0.50000000 0.50000000 0.66712600 1.0
Mg Mg6 1 0.00000000 0.74905200 0.08616600 1.0
Mg Mg7 1 0.00000000 0.25094800 0.08616600 1.0
Mg Mg8 1 0.00000000 0.00000000 0.33399300 1.0
Mg Mg9 1 0.50000000 0.25630000 0.41073300 1.0
Mg Mg10 1 0.50000000 0.74370000 0.41073300 1.0
Mg Mg11 1 0.50000000 0.00000000 0.16712600 1.0
Cd Cd12 1 0.50000000 0.00000000 0.65648400 1.0
Cd Cd13 1 0.50000000 0.50000000 0.15648400 1.0
Si Si14 1 0.00000000 0.00000000 0.84859900 1.0
Si Si15 1 0.00000000 0.50000000 0.34859900 1.0
