Yb2Ho6SbPd24
High-Entropy Materials HEAMP-ID: mp-3296849 · Space group: Amm2 (#38)
Basic Information
Formula
Yb2Ho6SbPd24
MP-ID
mp-3296849
Elements
4
Sites
33
Density
11.6778
g/cm³
Volume
570.42
ų
Cell a
8.2932
Å
Cell b
8.2937
Å
Cell c
8.2932
Å
α Angle
90.00
°
β Angle
90.09
°
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 |
|---|---|---|---|
| 21.43 | 4.1469 | 1.0 | (0,2,0) |
| 21.43 | 4.1466 | 2.0 | (2,0,0) |
| 30.46 | 2.9343 | 3.2 | (2,0,-2) |
| 30.49 | 2.9322 | 12.6 | (2,2,0) |
| 30.51 | 2.9299 | 3.1 | (2,0,2) |
| 32.38 | 2.7646 | 1.6 | (0,3,0) |
| 32.39 | 2.7644 | 3.3 | (3,0,0) |
| 37.55 | 2.3953 | 100.0 | (2,2,-2) |
| 37.59 | 2.3929 | 100.0 | (2,2,2) |
| 39.14 | 2.3017 | 1.2 | (3,0,-2) |
| 39.16 | 2.3002 | 2.3 | (2,3,0) |
| 39.16 | 2.3002 | 2.3 | (3,2,0) |
| 39.19 | 2.2985 | 1.2 | (3,0,2) |
| 40.69 | 2.2172 | 1.0 | (3,2,-1) |
| 43.65 | 2.0734 | 36.5 | (0,4,0) |
| 43.66 | 2.0733 | 72.9 | (4,0,0) |
| 45.05 | 2.0125 | 3.8 | (3,2,-2) |
| 45.05 | 2.0122 | 1.8 | (2,3,-2) |
| 45.09 | 2.0108 | 1.8 | (2,3,2) |
| 45.10 | 2.0104 | 3.6 | (3,2,2) |
| 46.45 | 1.9548 | 1.8 | (3,3,0) |
| 49.13 | 1.8545 | 1.7 | (2,4,0) |
| 49.13 | 1.8544 | 1.7 | (4,2,0) |
| 51.68 | 1.7689 | 1.5 | (3,3,-2) |
Energy Properties
Formation Energy/atom
-0.93308
eV/atom
Energy/atom
-26.60290
eV/atom
Energy above Hull
0.0024
eV/atom
Uncorrected Energy
-26.6029
eV/atom
Volume/atom
17.29
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
0.0021
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
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
0.8174
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.7960
J/mol·K
Ω Parameter
19.4105
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.065%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4287
smaller = more stable mixing
VEC
10.273
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.609
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5896
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296849
Reference Citation
The crystal structure and related material properties of Yb2Ho6SbPd24 were obtained from the Materials Project database (MP-ID: mp-3296849, 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_Yb2Ho6SbPd24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29320883
_cell_length_b 8.29372806
_cell_length_c 8.29320883
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.08707613
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb2Ho6SbPd24
_chemical_formula_sum 'Yb2 Ho6 Sb1 Pd24'
_cell_volume 570.41966919
_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
Yb Yb0 1 0.25259210 0.74708222 0.25259210 1.0
Yb Yb1 1 0.25259210 0.25291778 0.25259210 1.0
Ho Ho2 1 0.74579762 0.74616346 0.25367287 1.0
Ho Ho3 1 0.74663684 0.25319782 0.74663684 1.0
Ho Ho4 1 0.25367287 0.74616346 0.74579762 1.0
Ho Ho5 1 0.74663684 0.74680218 0.74663684 1.0
Ho Ho6 1 0.74579762 0.25383654 0.25367287 1.0
Ho Ho7 1 0.25367287 0.25383654 0.74579762 1.0
Sb Sb8 1 0.00239585 0.00000000 0.00239585 1.0
Pd Pd9 1 0.00010371 0.00000000 0.30791682 1.0
Pd Pd10 1 0.73557313 0.00000000 0.50070273 1.0
Pd Pd11 1 0.73552348 0.50000000 0.99931152 1.0
Pd Pd12 1 0.50070273 0.00000000 0.73557313 1.0
Pd Pd13 1 0.99886544 0.73516998 0.50041654 1.0
Pd Pd14 1 0.49995555 0.00000000 0.26491449 1.0
Pd Pd15 1 0.99886544 0.26483002 0.50041654 1.0
Pd Pd16 1 0.50041654 0.73516998 0.99886544 1.0
Pd Pd17 1 0.25341445 0.50000000 0.49952117 1.0
Pd Pd18 1 0.50061019 0.50000000 0.74493789 1.0
Pd Pd19 1 0.49952117 0.50000000 0.25341445 1.0
Pd Pd20 1 0.49998005 0.25418752 0.49998005 1.0
Pd Pd21 1 0.49998005 0.74581248 0.49998005 1.0
Pd Pd22 1 0.74493789 0.50000000 0.50061019 1.0
Pd Pd23 1 0.30791682 0.00000000 0.00010371 1.0
Pd Pd24 1 0.00035256 0.00000000 0.69448320 1.0
Pd Pd25 1 0.99839969 0.50000000 0.26509092 1.0
Pd Pd26 1 0.00043536 0.30653051 0.00043536 1.0
Pd Pd27 1 0.00043536 0.69346949 0.00043536 1.0
Pd Pd28 1 0.69448320 0.00000000 0.00035256 1.0
Pd Pd29 1 0.26509092 0.50000000 0.99839969 1.0
Pd Pd30 1 0.26491449 0.00000000 0.49995555 1.0
Pd Pd31 1 0.99931152 0.50000000 0.73552348 1.0
Pd Pd32 1 0.50041654 0.26483002 0.99886544 1.0
