YHo4CoSb2
High-Entropy Materials HEAMP-ID: mp-3292435 · Space group: Pnma (#62)
Basic Information
Formula
YHo4CoSb2
MP-ID
mp-3292435
Elements
4
Sites
32
Density
8.3826
g/cm³
Volume
832.85
ų
Cell a
7.8916
Å
Cell b
8.6772
Å
Cell c
12.1625
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 14.57 | 6.0812 | 8.5 | (0,0,2) |
| 15.18 | 5.8382 | 1.2 | (1,1,0) |
| 16.85 | 5.2633 | 2.8 | (1,1,1) |
| 21.09 | 4.2115 | 3.2 | (1,1,2) |
| 22.53 | 3.9458 | 2.9 | (2,0,0) |
| 24.53 | 3.6288 | 2.6 | (1,2,1) |
| 25.86 | 3.4448 | 11.8 | (2,1,1) |
| 26.77 | 3.3300 | 1.2 | (1,1,3) |
| 27.67 | 3.2237 | 28.3 | (1,2,2) |
| 28.87 | 3.0927 | 2.5 | (2,1,2) |
| 29.37 | 3.0406 | 3.5 | (0,0,4) |
| 30.63 | 2.9191 | 5.9 | (2,2,0) |
| 31.17 | 2.8695 | 4.1 | (0,1,4) |
| 31.52 | 2.8385 | 98.6 | (2,2,1) |
| 31.53 | 2.8373 | 69.4 | (1,0,4) |
| 31.64 | 2.8276 | 27.3 | (2,0,3) |
| 32.28 | 2.7733 | 100.0 | (1,2,3) |
| 32.98 | 2.7157 | 10.2 | (1,3,0) |
| 33.22 | 2.6968 | 3.4 | (1,1,4) |
| 33.82 | 2.6505 | 5.7 | (1,3,1) |
| 34.07 | 2.6316 | 57.3 | (2,2,2) |
| 34.33 | 2.6120 | 6.0 | (0,3,2) |
| 34.90 | 2.5711 | 35.3 | (3,0,1) |
| 35.67 | 2.5174 | 1.2 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.77760
eV/atom
Energy/atom
-27.83832
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.8383
eV/atom
Volume/atom
26.03
ų
c/a Ratio
1.5412
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6849
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.000820
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2130
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0849
J/mol·K
Ω Parameter
2.9891
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.856%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3738
smaller = more stable mixing
VEC
8.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.192
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8750
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292435
Reference Citation
The crystal structure and related material properties of YHo4CoSb2 were obtained from the Materials Project database (MP-ID: mp-3292435, 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_YHo4CoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.89163713
_cell_length_b 8.67719251
_cell_length_c 12.16246630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHo4CoSb2
_chemical_formula_sum 'Y4 Ho16 Co4 Sb8'
_cell_volume 832.85230130
_cell_formula_units_Z 4
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
Y Y0 1 0.15612598 0.75000000 0.20395371 1.0
Y Y1 1 0.65612598 0.25000000 0.29604629 1.0
Y Y2 1 0.84387402 0.25000000 0.79604629 1.0
Y Y3 1 0.34387402 0.75000000 0.70395371 1.0
Ho Ho4 1 0.45108270 0.75000000 0.99823915 1.0
Ho Ho5 1 0.95108270 0.25000000 0.50176085 1.0
Ho Ho6 1 0.54891730 0.25000000 0.00176085 1.0
Ho Ho7 1 0.04891730 0.75000000 0.49823915 1.0
Ho Ho8 1 0.62340219 0.75000000 0.30783125 1.0
Ho Ho9 1 0.12340219 0.25000000 0.19216875 1.0
Ho Ho10 1 0.37659781 0.25000000 0.69216875 1.0
Ho Ho11 1 0.87659781 0.75000000 0.80783125 1.0
Ho Ho12 1 0.82380760 0.96394902 0.06481384 1.0
Ho Ho13 1 0.32380760 0.03605098 0.43518616 1.0
Ho Ho14 1 0.17619240 0.46394902 0.93518616 1.0
Ho Ho15 1 0.67619240 0.53605098 0.56481384 1.0
Ho Ho16 1 0.17619240 0.03605098 0.93518616 1.0
Ho Ho17 1 0.67619240 0.96394902 0.56481384 1.0
Ho Ho18 1 0.82380760 0.53605098 0.06481384 1.0
Ho Ho19 1 0.32380760 0.46394902 0.43518616 1.0
Co Co20 1 0.43397325 0.75000000 0.48914195 1.0
Co Co21 1 0.93397325 0.25000000 0.01085805 1.0
Co Co22 1 0.56602675 0.25000000 0.51085805 1.0
Co Co23 1 0.06602675 0.75000000 0.98914195 1.0
Sb Sb24 1 0.93170931 0.99204835 0.32809995 1.0
Sb Sb25 1 0.43170931 0.00795165 0.17190005 1.0
Sb Sb26 1 0.06829069 0.49204835 0.67190005 1.0
Sb Sb27 1 0.56829069 0.50795165 0.82809995 1.0
Sb Sb28 1 0.06829069 0.00795165 0.67190005 1.0
Sb Sb29 1 0.56829069 0.99204835 0.82809995 1.0
Sb Sb30 1 0.93170931 0.50795165 0.32809995 1.0
Sb Sb31 1 0.43170931 0.49204835 0.17190005 1.0
