Ac8InPd24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3294312 · Space group: Pm-3m (#221)
Basic Information
Formula
Ac8InPd24
MP-ID
mp-3294312
Elements
3
Sites
33
Density
11.2450
g/cm³
Volume
662.28
ų
Cell a
8.7166
Å
Cell b
8.7166
Å
Cell c
8.7166
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
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 |
|---|---|---|---|
| 20.38 | 4.3583 | 8.1 | (2,0,0) |
| 28.97 | 3.0818 | 24.4 | (2,2,0) |
| 30.77 | 2.9055 | 2.5 | (2,2,1) |
| 32.48 | 2.7564 | 1.2 | (3,1,0) |
| 35.68 | 2.5163 | 100.0 | (2,2,2) |
| 37.19 | 2.4176 | 6.0 | (3,2,0) |
| 38.65 | 2.3296 | 2.6 | (3,2,1) |
| 41.44 | 2.1792 | 54.8 | (4,0,0) |
| 42.77 | 2.1141 | 7.1 | (3,2,2) |
| 44.08 | 2.0545 | 2.2 | (4,1,1) |
| 46.60 | 1.9491 | 9.8 | (4,2,0) |
| 49.02 | 1.8584 | 2.5 | (3,3,2) |
| 51.35 | 1.7793 | 5.7 | (4,2,2) |
| 56.89 | 1.6186 | 1.2 | (4,3,2) |
| 60.04 | 1.5409 | 31.0 | (4,4,0) |
| 61.07 | 1.5174 | 1.6 | (5,2,2) |
| 64.10 | 1.4528 | 7.0 | (4,4,2) |
| 68.02 | 1.3782 | 8.6 | (6,2,0) |
| 68.99 | 1.3613 | 2.2 | (5,4,0) |
| 71.84 | 1.3141 | 30.8 | (6,2,2) |
| 72.78 | 1.2994 | 3.1 | (6,3,0) |
| 73.72 | 1.2852 | 1.2 | (6,3,1) |
| 75.58 | 1.2581 | 8.7 | (4,4,4) |
| 76.50 | 1.2452 | 4.5 | (6,3,2) |
Energy Properties
Formation Energy/atom
-0.80048
eV/atom
Energy/atom
-34.82258
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.8226
eV/atom
Volume/atom
20.07
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0041
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
Pd · 0.727
Element Family
4d-TM
Solute Fraction
0.273
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6811
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.6626
J/mol·K
Ω Parameter
8.3475
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.367%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4697
smaller = more stable mixing
VEC
7.848
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.128
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6200
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.619
Family
Pd-rich Multi-Component
Matrix Element
Pd · 0.727
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294312
Reference Citation
The crystal structure and related material properties of Ac8InPd24 were obtained from the Materials Project database (MP-ID: mp-3294312, 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_Ac8InPd24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.71659702
_cell_length_b 8.71659702
_cell_length_c 8.71659702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac8InPd24
_chemical_formula_sum 'Ac8 In1 Pd24'
_cell_volume 662.27887917
_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
Ac Ac0 1 0.25046502 0.25046502 0.25046502 1.0
Ac Ac1 1 0.74953498 0.74953498 0.74953498 1.0
Ac Ac2 1 0.74953498 0.74953498 0.25046502 1.0
Ac Ac3 1 0.74953498 0.25046502 0.74953498 1.0
Ac Ac4 1 0.25046502 0.25046502 0.74953498 1.0
Ac Ac5 1 0.25046502 0.74953498 0.25046502 1.0
Ac Ac6 1 0.25046502 0.74953498 0.74953498 1.0
Ac Ac7 1 0.74953498 0.25046502 0.25046502 1.0
In In8 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd9 1 0.27034344 0.50000000 0.00000000 1.0
Pd Pd10 1 0.72965656 0.50000000 0.00000000 1.0
Pd Pd11 1 0.00000000 0.27034344 0.50000000 1.0
Pd Pd12 1 0.50000000 0.27034344 0.00000000 1.0
Pd Pd13 1 0.00000000 0.72965656 0.50000000 1.0
Pd Pd14 1 0.50000000 0.72965656 0.00000000 1.0
Pd Pd15 1 0.50000000 0.00000000 0.27034344 1.0
Pd Pd16 1 0.27034344 0.00000000 0.50000000 1.0
Pd Pd17 1 0.50000000 0.00000000 0.72965656 1.0
Pd Pd18 1 0.72965656 0.00000000 0.50000000 1.0
Pd Pd19 1 0.00000000 0.50000000 0.27034344 1.0
Pd Pd20 1 0.00000000 0.50000000 0.72965656 1.0
Pd Pd21 1 0.25594226 0.50000000 0.50000000 1.0
Pd Pd22 1 0.74405774 0.50000000 0.50000000 1.0
Pd Pd23 1 0.50000000 0.25594226 0.50000000 1.0
Pd Pd24 1 0.50000000 0.74405774 0.50000000 1.0
Pd Pd25 1 0.50000000 0.50000000 0.25594226 1.0
Pd Pd26 1 0.50000000 0.50000000 0.74405774 1.0
Pd Pd27 1 0.32471201 0.00000000 0.00000000 1.0
Pd Pd28 1 0.67528799 0.00000000 0.00000000 1.0
Pd Pd29 1 0.00000000 0.32471201 0.00000000 1.0
Pd Pd30 1 0.00000000 0.67528799 0.00000000 1.0
Pd Pd31 1 0.00000000 0.00000000 0.32471201 1.0
Pd Pd32 1 0.00000000 0.00000000 0.67528799 1.0
