SrMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1016322 · Space group: Amm2 (#38)
Basic Information
Formula
SrMg6Cd
MP-ID
mp-1016322
Elements
3
Sites
16
Density
2.7447
g/cm³
Volume
418.49
ų
Cell a
5.2238
Å
Cell b
6.8120
Å
Cell c
11.7606
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 |
|---|---|---|---|
| 15.03 | 5.8945 | 67.2 | (0,1,1) |
| 15.07 | 5.8803 | 8.9 | (0,0,2) |
| 16.97 | 5.2238 | 1.1 | (1,0,0) |
| 22.75 | 3.9095 | 21.8 | (1,1,1) |
| 22.77 | 3.9053 | 30.1 | (1,0,2) |
| 26.16 | 3.4060 | 12.8 | (0,2,0) |
| 30.33 | 2.9473 | 23.4 | (0,2,2) |
| 30.40 | 2.9401 | 13.1 | (0,0,4) |
| 31.41 | 2.8482 | 31.3 | (1,1,3) |
| 34.33 | 2.6119 | 34.8 | (2,0,0) |
| 34.96 | 2.5669 | 100.0 | (1,2,2) |
| 35.02 | 2.5622 | 47.1 | (1,0,4) |
| 37.67 | 2.3880 | 14.3 | (2,1,1) |
| 37.68 | 2.3870 | 1.9 | (2,0,2) |
| 40.46 | 2.2295 | 6.1 | (0,3,1) |
| 40.53 | 2.2256 | 3.8 | (0,2,4) |
| 40.58 | 2.2233 | 7.1 | (0,1,5) |
| 43.67 | 2.0726 | 6.4 | (2,2,0) |
| 44.17 | 2.0505 | 3.1 | (1,3,1) |
| 44.24 | 2.0475 | 7.6 | (1,2,4) |
| 44.28 | 2.0457 | 2.5 | (1,1,5) |
| 46.32 | 1.9601 | 2.7 | (0,0,6) |
| 46.45 | 1.9548 | 13.9 | (2,2,2) |
| 46.51 | 1.9527 | 7.8 | (2,0,4) |
Energy Properties
Formation Energy/atom
0.04148
eV/atom
Energy/atom
-1.51293
eV/atom
Energy above Hull
0.1176
eV/atom
Uncorrected Energy
-1.5129
eV/atom
Volume/atom
26.16
ų
c/a Ratio
2.2514
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0071
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
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
0.8008
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.524%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1851
smaller = more stable mixing
VEC
3.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.856
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
0.670
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-1016322
Reference Citation
The crystal structure and related material properties of SrMg6Cd were obtained from the Materials Project database (MP-ID: mp-1016322, 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_SrMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22378900
_cell_length_b 6.81194900
_cell_length_c 11.76056900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg6Cd
_chemical_formula_sum 'Sr2 Mg12 Cd2'
_cell_volume 418.49025424
_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
Sr Sr0 1 0.00000000 0.50000000 0.66965700 1.0
Sr Sr1 1 0.00000000 0.00000000 0.16965700 1.0
Mg Mg2 1 0.00000000 0.25550900 0.91962900 1.0
Mg Mg3 1 0.00000000 0.74449100 0.91962900 1.0
Mg Mg4 1 0.00000000 0.50000000 0.16176700 1.0
Mg Mg5 1 0.50000000 0.26613500 0.07683000 1.0
Mg Mg6 1 0.50000000 0.73386500 0.07683000 1.0
Mg Mg7 1 0.50000000 0.50000000 0.33286900 1.0
Mg Mg8 1 0.00000000 0.75550900 0.41962900 1.0
Mg Mg9 1 0.00000000 0.24449100 0.41962900 1.0
Mg Mg10 1 0.00000000 0.00000000 0.66176700 1.0
Mg Mg11 1 0.50000000 0.76613500 0.57683000 1.0
Mg Mg12 1 0.50000000 0.23386500 0.57683000 1.0
Mg Mg13 1 0.50000000 0.00000000 0.83286900 1.0
Cd Cd14 1 0.50000000 0.50000000 0.84278900 1.0
Cd Cd15 1 0.50000000 0.00000000 0.34278900 1.0
