Yb6Al24Co3Ir5
High-Entropy Materials HEAMP-ID: mp-3292427 · Space group: C2/m (#12)
Basic Information
Formula
Yb6Al24Co3Ir5
MP-ID
mp-3292427
Elements
4
Sites
38
Density
7.6439
g/cm³
Volume
613.41
ų
Cell a
8.7009
Å
Cell b
8.7236
Å
Cell c
9.3400
Å
α Angle
90.00
°
β Angle
89.69
°
γ Angle
120.09
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 9.47 | 9.3398 | 5.8 | (0,0,1) |
| 11.72 | 7.5482 | 9.2 | (1,-1,0) |
| 11.75 | 7.5285 | 37.9 | (1,0,0) |
| 15.07 | 5.8797 | 51.1 | (1,-1,1) |
| 15.07 | 5.8794 | 26.7 | (1,0,1) |
| 15.11 | 5.8617 | 8.6 | (1,-1,-1) |
| 15.16 | 5.8435 | 4.5 | (1,0,-1) |
| 19.00 | 4.6699 | 3.2 | (0,0,2) |
| 20.36 | 4.3618 | 24.3 | (1,-2,0) |
| 20.41 | 4.3504 | 14.4 | (2,-1,0) |
| 22.34 | 3.9796 | 7.1 | (1,0,2) |
| 22.36 | 3.9769 | 1.5 | (1,-1,2) |
| 22.42 | 3.9658 | 1.6 | (1,-1,-2) |
| 22.47 | 3.9573 | 7.7 | (1,0,-2) |
| 22.50 | 3.9521 | 1.7 | (1,-2,1) |
| 22.50 | 3.9518 | 1.5 | (2,-1,1) |
| 22.59 | 3.9354 | 1.0 | (2,-1,-1) |
| 22.59 | 3.9354 | 1.0 | (1,1,-1) |
| 23.57 | 3.7741 | 18.8 | (2,-2,0) |
| 23.57 | 3.7741 | 18.8 | (0,2,0) |
| 23.64 | 3.7642 | 18.3 | (2,0,0) |
| 25.43 | 3.5031 | 27.3 | (2,-2,1) |
| 25.46 | 3.4990 | 27.5 | (2,0,1) |
| 25.48 | 3.4954 | 57.2 | (2,-2,-1) |
Energy Properties
Formation Energy/atom
-0.78798
eV/atom
Energy/atom
-18.74182
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.7418
eV/atom
Volume/atom
16.14
ų
c/a Ratio
1.0735
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7759
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.002900
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.632
Element Family
PostTransition-Noble
Solute Fraction
0.368
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0490
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7213
J/mol·K
Ω Parameter
1.1460
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.369%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3038
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.610
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7567
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292427
Reference Citation
The crystal structure and related material properties of Yb6Al24Co3Ir5 were obtained from the Materials Project database (MP-ID: mp-3292427, 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_Yb6Al24Co3Ir5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70086777
_cell_length_b 8.72360372
_cell_length_c 9.33999050
_cell_angle_alpha 90.00000209
_cell_angle_beta 89.68929560
_cell_angle_gamma 120.08648964
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb6Al24Co3Ir5
_chemical_formula_sum 'Yb6 Al24 Co3 Ir5'
_cell_volume 613.40579568
_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 0.80441858 0.19147097 0.74945148 1.0
Yb Yb1 1 0.19558142 0.80852903 0.25054852 1.0
Yb Yb2 1 0.38871168 0.19435534 0.75134409 1.0
Yb Yb3 1 0.61128832 0.80564466 0.24865591 1.0
Yb Yb4 1 0.80441858 0.61294761 0.74945148 1.0
Yb Yb5 1 0.19558142 0.38705239 0.25054852 1.0
Al Al6 1 0.67551990 0.33775945 0.00025456 1.0
Al Al7 1 0.32448010 0.66224055 0.99974544 1.0
Al Al8 1 0.33277587 0.66638843 0.50315821 1.0
Al Al9 1 0.66722413 0.33361157 0.49684179 1.0
Al Al10 1 0.84274032 0.15850785 0.42121216 1.0
Al Al11 1 0.15725968 0.84149215 0.57878784 1.0
Al Al12 1 0.31608661 0.15804331 0.42240044 1.0
Al Al13 1 0.15558706 0.83844664 0.92307586 1.0
Al Al14 1 0.68391339 0.84195669 0.57759956 1.0
Al Al15 1 0.84441294 0.16155336 0.07692414 1.0
Al Al16 1 0.84274032 0.68423247 0.42121216 1.0
Al Al17 1 0.68197615 0.84098758 0.92285568 1.0
Al Al18 1 0.15725968 0.31576753 0.57878784 1.0
Al Al19 1 0.31802385 0.15901242 0.07714432 1.0
Al Al20 1 0.15558706 0.31714042 0.92307586 1.0
Al Al21 1 0.84441294 0.68285958 0.07692414 1.0
Al Al22 1 0.43721864 0.56120613 0.75084939 1.0
Al Al23 1 0.56278136 0.43879387 0.24915061 1.0
Al Al24 1 0.11546795 0.55773498 0.75609809 1.0
Al Al25 1 0.88453205 0.44226502 0.24390191 1.0
Al Al26 1 0.43721864 0.87601352 0.75084939 1.0
Al Al27 1 0.56278136 0.12398648 0.24915061 1.0
Al Al28 1 0.99980938 0.99990469 0.75018040 1.0
Al Al29 1 0.00019062 0.00009531 0.24981960 1.0
Co Co30 1 0.00000000 0.50000000 0.00000000 1.0
Co Co31 1 0.00000000 0.00000000 0.00000000 1.0
Co Co32 1 0.00000000 0.00000000 0.50000000 1.0
Ir Ir33 1 0.50000000 0.50000000 0.00000000 1.0
Ir Ir34 1 0.50000000 0.50000000 0.50000000 1.0
Ir Ir35 1 0.50000000 0.00000000 0.00000000 1.0
Ir Ir36 1 0.00000000 0.50000000 0.50000000 1.0
Ir Ir37 1 0.50000000 0.00000000 0.50000000 1.0
