Ho9MgCd3Ru
High-Entropy Materials HEAMP-ID: mp-3296256 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ho9MgCd3Ru
MP-ID
mp-3296256
Elements
4
Sites
28
Density
8.7255
g/cm³
Volume
741.06
ų
Cell a
9.4331
Å
Cell b
9.4331
Å
Cell c
9.6165
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 10.83 | 8.1693 | 9.9 | (1,-1,0,0) |
| 10.83 | 8.1693 | 9.9 | (0,1,-1,0) |
| 10.83 | 8.1693 | 9.9 | (1,0,-1,0) |
| 14.23 | 6.2260 | 3.2 | (1,-1,0,1) |
| 14.23 | 6.2260 | 3.2 | (0,1,-1,1) |
| 14.23 | 6.2260 | 3.2 | (1,0,-1,1) |
| 18.45 | 4.8083 | 9.3 | (0,0,0,2) |
| 21.76 | 4.0846 | 2.8 | (2,-2,0,0) |
| 21.76 | 4.0846 | 2.8 | (0,2,-2,0) |
| 21.76 | 4.0846 | 2.8 | (2,0,-2,0) |
| 26.47 | 3.3671 | 2.6 | (1,-2,1,2) |
| 26.47 | 3.3671 | 2.6 | (2,-1,-1,2) |
| 26.47 | 3.3671 | 2.6 | (1,1,-2,2) |
| 28.68 | 3.1130 | 43.6 | (2,-2,0,2) |
| 28.68 | 3.1130 | 43.5 | (0,2,-2,2) |
| 28.68 | 3.1130 | 43.5 | (2,0,-2,2) |
| 28.92 | 3.0877 | 6.8 | (2,-3,1,0) |
| 28.92 | 3.0877 | 6.8 | (1,-3,2,0) |
| 28.92 | 3.0877 | 6.8 | (3,-2,-1,0) |
| 28.92 | 3.0877 | 6.8 | (3,-1,-2,0) |
| 28.92 | 3.0877 | 6.8 | (1,2,-3,0) |
| 28.92 | 3.0877 | 6.8 | (2,1,-3,0) |
| 29.94 | 2.9840 | 41.6 | (1,-1,0,3) |
| 29.94 | 2.9840 | 83.1 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
-0.32217
eV/atom
Energy/atom
-27.88224
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.8822
eV/atom
Volume/atom
26.47
ų
c/a Ratio
1.0195
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.4264
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000580
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.643
Element Family
Lanthanide
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9911
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2403
J/mol·K
Ω Parameter
8.5633
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.998%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2879
smaller = more stable mixing
VEC
10.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.438
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7150
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296256
Reference Citation
The crystal structure and related material properties of Ho9MgCd3Ru were obtained from the Materials Project database (MP-ID: mp-3296256, 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_Ho9MgCd3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.43306131
_cell_length_b 9.43307658
_cell_length_c 9.61649866
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00018540
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho9MgCd3Ru
_chemical_formula_sum 'Ho18 Mg2 Cd6 Ru2'
_cell_volume 741.05904555
_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
Ho Ho0 1 0.20843991 0.79156009 0.44077943 1.0
Ho Ho1 1 0.20843991 0.41687981 0.44078043 1.0
Ho Ho2 1 0.58312019 0.79155909 0.44078043 1.0
Ho Ho3 1 0.79156009 0.20843991 0.55922057 1.0
Ho Ho4 1 0.79156009 0.58312019 0.55921957 1.0
Ho Ho5 1 0.41687981 0.20844091 0.55921957 1.0
Ho Ho6 1 0.79156009 0.20843991 0.94077943 1.0
Ho Ho7 1 0.79156009 0.58312019 0.94078043 1.0
Ho Ho8 1 0.41687981 0.20844091 0.94078043 1.0
Ho Ho9 1 0.20843991 0.79156009 0.05922057 1.0
Ho Ho10 1 0.20843991 0.41687981 0.05921957 1.0
Ho Ho11 1 0.58312019 0.79155909 0.05921957 1.0
Ho Ho12 1 0.54182404 0.45817796 0.25000000 1.0
Ho Ho13 1 0.54182204 0.08364607 0.25000000 1.0
Ho Ho14 1 0.91635393 0.45817696 0.25000000 1.0
Ho Ho15 1 0.45817596 0.54182204 0.75000000 1.0
Ho Ho16 1 0.45817796 0.91635393 0.75000000 1.0
Ho Ho17 1 0.08364607 0.54182304 0.75000000 1.0
Mg Mg18 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg19 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd20 1 0.88950880 0.11049220 0.25000000 1.0
Cd Cd21 1 0.88950680 0.77901761 0.25000000 1.0
Cd Cd22 1 0.22098239 0.11049220 0.25000000 1.0
Cd Cd23 1 0.11049120 0.88950780 0.75000000 1.0
Cd Cd24 1 0.11049320 0.22098239 0.75000000 1.0
Cd Cd25 1 0.77901761 0.88950780 0.75000000 1.0
Ru Ru26 1 0.33333600 0.66666900 0.25000000 1.0
Ru Ru27 1 0.66666400 0.33333100 0.75000000 1.0
