HfMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017200 · Space group: Amm2 (#38)
Basic Information
Formula
HfMg6Cd
MP-ID
mp-1017200
Elements
3
Sites
16
Density
4.0888
g/cm³
Volume
354.73
ų
Cell a
5.0330
Å
Cell b
6.3679
Å
Cell c
11.0681
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 |
|---|---|---|---|
| 16.02 | 5.5341 | 22.1 | (0,0,2) |
| 16.06 | 5.5196 | 100.0 | (0,1,1) |
| 17.62 | 5.0330 | 3.2 | (1,0,0) |
| 23.90 | 3.7234 | 35.8 | (1,0,2) |
| 23.93 | 3.7190 | 26.5 | (1,1,1) |
| 27.95 | 3.1923 | 2.4 | (0,1,3) |
| 28.02 | 3.1840 | 17.0 | (0,2,0) |
| 32.35 | 2.7670 | 8.4 | (0,0,4) |
| 32.44 | 2.7598 | 24.0 | (0,2,2) |
| 33.23 | 2.6958 | 43.4 | (1,1,3) |
| 33.30 | 2.6907 | 1.4 | (1,2,0) |
| 35.68 | 2.5165 | 31.4 | (2,0,0) |
| 37.08 | 2.4247 | 45.8 | (1,0,4) |
| 37.15 | 2.4199 | 81.2 | (1,2,2) |
| 39.33 | 2.2908 | 4.9 | (2,0,2) |
| 39.35 | 2.2897 | 22.1 | (2,1,1) |
| 43.27 | 2.0909 | 6.6 | (0,1,5) |
| 43.32 | 2.0886 | 2.2 | (0,2,4) |
| 43.41 | 2.0847 | 8.2 | (0,3,1) |
| 45.92 | 1.9763 | 1.4 | (2,1,3) |
| 45.97 | 1.9743 | 8.9 | (2,2,0) |
| 47.06 | 1.9309 | 7.6 | (1,1,5) |
| 47.11 | 1.9291 | 14.3 | (1,2,4) |
| 47.19 | 1.9260 | 4.8 | (1,3,1) |
Energy Properties
Formation Energy/atom
0.09316
eV/atom
Energy/atom
-2.49435
eV/atom
Energy above Hull
0.1186
eV/atom
Uncorrected Energy
-2.4944
eV/atom
Volume/atom
22.17
ų
c/a Ratio
2.1991
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0012
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
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
0.5763
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
1.857%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1262
smaller = more stable mixing
VEC
3.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.459
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.710
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-1017200
Reference Citation
The crystal structure and related material properties of HfMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017200, 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_HfMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03296900
_cell_length_b 6.36791400
_cell_length_c 11.06813000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg6Cd
_chemical_formula_sum 'Hf2 Mg12 Cd2'
_cell_volume 354.72818470
_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
Hf Hf0 1 0.50000000 0.50000000 0.16938200 1.0
Hf Hf1 1 0.50000000 0.00000000 0.66938200 1.0
Mg Mg2 1 0.00000000 0.74734500 0.08369300 1.0
Mg Mg3 1 0.00000000 0.25265500 0.08369300 1.0
Mg Mg4 1 0.00000000 0.00000000 0.33259000 1.0
Mg Mg5 1 0.50000000 0.25157200 0.41879000 1.0
Mg Mg6 1 0.50000000 0.74842800 0.41879000 1.0
Mg Mg7 1 0.50000000 0.00000000 0.16557300 1.0
Mg Mg8 1 0.00000000 0.24734500 0.58369300 1.0
Mg Mg9 1 0.00000000 0.75265500 0.58369300 1.0
Mg Mg10 1 0.00000000 0.50000000 0.83259000 1.0
Mg Mg11 1 0.50000000 0.75157200 0.91879000 1.0
Mg Mg12 1 0.50000000 0.24842800 0.91879000 1.0
Mg Mg13 1 0.50000000 0.50000000 0.66557300 1.0
Cd Cd14 1 0.00000000 0.50000000 0.32749000 1.0
Cd Cd15 1 0.00000000 0.00000000 0.82749000 1.0
