HoMg4P12Ru19
High-Entropy Materials HEAMP-ID: mp-3294889 · Space group: P-6 (#174)
Basic Information
Formula
HoMg4P12Ru19
MP-ID
mp-3294889
Elements
4
Sites
36
Density
8.2079
g/cm³
Volume
516.73
ų
Cell a
12.3205
Å
Cell b
12.3205
Å
Cell c
3.9308
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6
Point Group
-6
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 |
|---|---|---|---|
| 8.29 | 10.6699 | 22.8 | (1,0,-1,0) |
| 14.38 | 6.1602 | 11.8 | (2,-1,-1,0) |
| 16.62 | 5.3349 | 2.3 | (2,0,-2,0) |
| 22.04 | 4.0328 | 15.3 | (3,-1,-2,0) |
| 22.62 | 3.9308 | 1.3 | (0,0,0,1) |
| 24.13 | 3.6885 | 5.3 | (1,0,-1,1) |
| 28.20 | 3.1646 | 2.3 | (2,0,-2,1) |
| 28.99 | 3.0801 | 11.3 | (2,2,-4,0) |
| 28.99 | 3.0801 | 5.7 | (4,-2,-2,0) |
| 30.20 | 2.9593 | 4.1 | (4,-1,-3,0) |
| 31.79 | 2.8149 | 21.5 | (3,-1,-2,1) |
| 33.99 | 2.6373 | 4.1 | (3,0,-3,1) |
| 36.71 | 2.4478 | 2.3 | (5,-2,-3,0) |
| 37.08 | 2.4245 | 100.0 | (4,-2,-2,1) |
| 38.06 | 2.3642 | 36.8 | (4,-1,-3,1) |
| 38.67 | 2.3284 | 2.0 | (1,4,-5,0) |
| 38.67 | 2.3284 | 4.0 | (5,-1,-4,0) |
| 40.89 | 2.2072 | 3.8 | (4,0,-4,1) |
| 42.36 | 2.1340 | 5.6 | (5,0,-5,0) |
| 43.56 | 2.0779 | 1.7 | (5,-2,-3,1) |
| 44.96 | 2.0164 | 13.2 | (6,-2,-4,0) |
| 45.27 | 2.0033 | 3.0 | (5,-1,-4,1) |
| 46.19 | 1.9654 | 28.3 | (0,0,0,2) |
| 47.44 | 1.9164 | 14.5 | (6,-1,-5,0) |
Energy Properties
Formation Energy/atom
-0.66315
eV/atom
Energy/atom
-18.45897
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.4590
eV/atom
Volume/atom
14.35
ų
c/a Ratio
0.3191
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.3192
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.000620
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 0.528
Element Family
4d-TM
Solute Fraction
0.472
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0472
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7062
J/mol·K
Ω Parameter
3.7332
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.277%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3122
smaller = more stable mixing
VEC
6.417
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.807
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7554
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294889
Reference Citation
The crystal structure and related material properties of HoMg4P12Ru19 were obtained from the Materials Project database (MP-ID: mp-3294889, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoMg4P12Ru19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.32048723
_cell_length_b 12.32048759
_cell_length_c 3.93079796
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999832
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoMg4P12Ru19
_chemical_formula_sum 'Ho1 Mg4 P12 Ru19'
_cell_volume 516.73412106
_cell_formula_units_Z 1
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 0.33333300 0.66666700 0.00000000 1.0
Mg Mg1 1 0.99977407 0.17834693 0.50000000 1.0
Mg Mg2 1 0.82165307 0.82142714 0.50000000 1.0
Mg Mg3 1 0.17857286 0.00022593 0.50000000 1.0
Mg Mg4 1 0.66666700 0.33333300 0.00000000 1.0
P P5 1 0.00037265 0.82056638 0.00000000 1.0
P P6 1 0.17943362 0.17980727 0.00000000 1.0
P P7 1 0.82019273 0.99962735 0.00000000 1.0
P P8 1 0.70244292 0.16962081 0.50000000 1.0
P P9 1 0.83037919 0.53282211 0.50000000 1.0
P P10 1 0.46717789 0.29755708 0.50000000 1.0
P P11 1 0.17412567 0.70225536 0.50000000 1.0
P P12 1 0.52812970 0.82587433 0.50000000 1.0
P P13 1 0.29774464 0.47187030 0.50000000 1.0
P P14 1 0.99762744 0.38784570 0.00000000 1.0
P P15 1 0.61215430 0.60978174 0.00000000 1.0
P P16 1 0.39021826 0.00237256 0.00000000 1.0
Ru Ru17 1 0.00170007 0.56918270 0.00000000 1.0
Ru Ru18 1 0.43081730 0.43251737 0.00000000 1.0
Ru Ru19 1 0.56748263 0.99829993 0.00000000 1.0
Ru Ru20 1 0.00179156 0.72809062 0.50000000 1.0
Ru Ru21 1 0.27190938 0.27370094 0.50000000 1.0
Ru Ru22 1 0.72629906 0.99820844 0.50000000 1.0
Ru Ru23 1 0.82554697 0.18942832 0.00000000 1.0
Ru Ru24 1 0.81057168 0.63611865 0.00000000 1.0
Ru Ru25 1 0.36388135 0.17445303 0.00000000 1.0
Ru Ru26 1 0.19134750 0.82939861 0.00000000 1.0
Ru Ru27 1 0.63805011 0.80865250 0.00000000 1.0
Ru Ru28 1 0.17060139 0.36194989 0.00000000 1.0
Ru Ru29 1 0.86795011 0.37177393 0.50000000 1.0
Ru Ru30 1 0.62822607 0.49617617 0.50000000 1.0
Ru Ru31 1 0.50382383 0.13204989 0.50000000 1.0
Ru Ru32 1 0.37287084 0.87674872 0.50000000 1.0
Ru Ru33 1 0.50387789 0.62712916 0.50000000 1.0
Ru Ru34 1 0.12325128 0.49612211 0.50000000 1.0
Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0
