Zr4Al24RuPt8
High-Entropy Materials HEAMP-ID: mp-3292433 · Space group: P-1 (#2)
Basic Information
Formula
Zr4Al24RuPt8
MP-ID
mp-3292433
Elements
4
Sites
37
Density
7.3830
g/cm³
Volume
601.46
ų
Cell a
7.4067
Å
Cell b
7.4193
Å
Cell c
12.8803
Å
α Angle
84.64
°
β Angle
79.05
°
γ Angle
59.94
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
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 |
|---|---|---|---|
| 6.99 | 12.6459 | 7.9 | (0,0,1) |
| 14.01 | 6.3216 | 9.0 | (1,0,0) |
| 14.57 | 6.0779 | 2.8 | (1,1,1) |
| 14.59 | 6.0720 | 5.1 | (1,0,1) |
| 15.49 | 5.7211 | 4.3 | (0,1,1) |
| 18.12 | 4.8956 | 3.3 | (1,1,2) |
| 19.72 | 4.5010 | 1.9 | (0,1,2) |
| 21.08 | 4.2153 | 100.0 | (0,0,3) |
| 21.43 | 4.1470 | 1.0 | (1,1,-2) |
| 24.10 | 3.6930 | 71.8 | (1,2,0) |
| 24.15 | 3.6854 | 72.7 | (1,-1,0) |
| 24.15 | 3.6852 | 72.9 | (2,1,1) |
| 24.46 | 3.6389 | 2.0 | (1,2,1) |
| 24.48 | 3.6360 | 1.7 | (2,1,0) |
| 24.49 | 3.6351 | 1.7 | (1,-1,1) |
| 25.76 | 3.4578 | 8.2 | (1,2,-1) |
| 25.83 | 3.4486 | 8.0 | (1,-1,-1) |
| 25.84 | 3.4476 | 7.9 | (2,1,2) |
| 26.77 | 3.3305 | 10.6 | (2,1,-1) |
| 26.78 | 3.3292 | 10.4 | (1,2,2) |
| 26.78 | 3.3290 | 10.5 | (1,-1,2) |
| 27.94 | 3.1937 | 1.6 | (2,0,1) |
| 28.23 | 3.1615 | 13.3 | (0,0,4) |
| 28.23 | 3.1608 | 1.6 | (2,0,0) |
Energy Properties
Formation Energy/atom
-0.93224
eV/atom
Energy/atom
-19.57808
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.5781
eV/atom
Volume/atom
16.26
ų
c/a Ratio
1.7390
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0034
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
Al · 0.649
Element Family
PostTransition-Noble
Solute Fraction
0.351
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9500
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.8983
J/mol·K
Ω Parameter
0.2390
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.195%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3129
smaller = more stable mixing
VEC
4.757
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-44.527
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6853
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292433
Reference Citation
The crystal structure and related material properties of Zr4Al24RuPt8 were obtained from the Materials Project database (MP-ID: mp-3292433, 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_Zr4Al24RuPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40668792
_cell_length_b 7.41929715
_cell_length_c 12.88030775
_cell_angle_alpha 84.63778568
_cell_angle_beta 79.05393120
_cell_angle_gamma 59.94061202
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr4Al24RuPt8
_chemical_formula_sum 'Zr4 Al24 Ru1 Pt8'
_cell_volume 601.46240123
_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
Zr Zr0 1 0.39261238 0.16726290 0.81193241 1.0
Zr Zr1 1 0.60738762 0.83273710 0.18806759 1.0
Zr Zr2 1 0.73214204 0.49801563 0.81182463 1.0
Zr Zr3 1 0.26785796 0.50198437 0.18817537 1.0
Al Al4 1 0.68690549 0.82831739 0.94441523 1.0
Al Al5 1 0.31309451 0.17168261 0.05558477 1.0
Al Al6 1 0.14599201 0.83272443 0.56340171 1.0
Al Al7 1 0.85400799 0.16727557 0.43659829 1.0
Al Al8 1 0.48020011 0.16691860 0.56093860 1.0
Al Al9 1 0.51979989 0.83308140 0.43906140 1.0
Al Al10 1 0.22097124 0.16496039 0.32190255 1.0
Al Al11 1 0.77902876 0.83503961 0.67809745 1.0
Al Al12 1 0.43594508 0.50576514 0.67820938 1.0
Al Al13 1 0.56405492 0.49423486 0.32179062 1.0
Al Al14 1 0.10735767 0.16219320 0.67615946 1.0
Al Al15 1 0.89264233 0.83780680 0.32384054 1.0
Al Al16 1 0.34999803 0.49665991 0.94447981 1.0
Al Al17 1 0.65000197 0.50334009 0.05552019 1.0
Al Al18 1 0.01583686 0.17489400 0.95221546 1.0
Al Al19 1 0.98416314 0.82510600 0.04778454 1.0
Al Al20 1 0.18769169 0.49881552 0.43937366 1.0
Al Al21 1 0.81230831 0.50118448 0.56062634 1.0
Al Al22 1 0.73089615 0.16290307 0.18231999 1.0
Al Al23 1 0.26910385 0.83709693 0.81768001 1.0
Al Al24 1 0.06020482 0.62260862 0.81898056 1.0
Al Al25 1 0.93979518 0.37739138 0.18101944 1.0
Al Al26 1 0.85117005 0.04673451 0.81701335 1.0
Al Al27 1 0.14882995 0.95326549 0.18298665 1.0
Ru Ru28 1 0.00000000 0.50000000 0.00000000 1.0
Pt Pt29 1 0.11998987 0.49094345 0.63996804 1.0
Pt Pt30 1 0.88001013 0.50905655 0.36003196 1.0
Pt Pt31 1 0.65572768 0.17225538 0.99976897 1.0
Pt Pt32 1 0.34427232 0.82774462 0.00023103 1.0
Pt Pt33 1 0.53648657 0.16612644 0.36049070 1.0
Pt Pt34 1 0.46351343 0.83387356 0.63950930 1.0
Pt Pt35 1 0.77748696 0.17702972 0.63789108 1.0
Pt Pt36 1 0.22251304 0.82297028 0.36210892 1.0
