YHo3CoB14
High-Entropy Materials HEAMP-ID: mp-3292393 · Space group: P2/m (#10)
Basic Information
Formula
YHo3CoB14
MP-ID
mp-3292393
Elements
4
Sites
38
Density
6.8177
g/cm³
Volume
386.77
ų
Cell a
7.1958
Å
Cell b
7.1957
Å
Cell c
7.4697
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.90
°
Space Group
P2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 11.85 | 7.4697 | 8.2 | (0,0,1) |
| 12.30 | 7.1958 | 1.8 | (1,0,0) |
| 17.11 | 5.1823 | 3.5 | (1,0,1) |
| 17.41 | 5.0924 | 1.9 | (1,1,0) |
| 17.44 | 5.0839 | 2.8 | (1,-1,0) |
| 21.11 | 4.2076 | 4.4 | (1,1,1) |
| 21.14 | 4.2029 | 1.9 | (1,-1,1) |
| 23.82 | 3.7349 | 100.0 | (0,0,2) |
| 24.75 | 3.5979 | 23.5 | (2,0,0) |
| 24.75 | 3.5978 | 21.1 | (0,2,0) |
| 27.52 | 3.2414 | 1.4 | (0,2,1) |
| 27.70 | 3.2202 | 34.3 | (2,1,0) |
| 27.70 | 3.2202 | 39.2 | (1,2,0) |
| 27.74 | 3.2159 | 29.5 | (2,-1,0) |
| 27.74 | 3.2159 | 29.8 | (1,-2,0) |
| 29.68 | 3.0099 | 3.6 | (1,-1,2) |
| 30.22 | 2.9571 | 1.5 | (2,1,1) |
| 30.22 | 2.9571 | 5.5 | (1,2,1) |
| 30.26 | 2.9538 | 11.6 | (2,-1,1) |
| 34.62 | 2.5912 | 31.2 | (2,0,2) |
| 34.62 | 2.5911 | 28.6 | (0,2,2) |
| 35.25 | 2.5462 | 7.8 | (2,2,0) |
| 35.31 | 2.5420 | 13.8 | (2,-2,0) |
| 36.85 | 2.4389 | 40.7 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.67890
eV/atom
Energy/atom
-13.04947
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.0495
eV/atom
Volume/atom
10.18
ų
c/a Ratio
1.0381
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
B · 0.737
Element Family
Metalloid-Nonmetal
Solute Fraction
0.263
Interstitial Fraction
0.737
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8264
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8707
J/mol·K
Ω Parameter
1.1739
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.904%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3288
smaller = more stable mixing
VEC
4.579
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-12.831
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5961
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292393
Reference Citation
The crystal structure and related material properties of YHo3CoB14 were obtained from the Materials Project database (MP-ID: mp-3292393, 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_YHo3CoB14
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19581476
_cell_length_b 7.19569914
_cell_length_c 7.46969171
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.90452549
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHo3CoB14
_chemical_formula_sum 'Y2 Ho6 Co2 B28'
_cell_volume 386.77201828
_cell_formula_units_Z 2
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 0.82944529 0.69309056 0.50000000 1.0
Y Y1 1 0.17055471 0.30690944 0.50000000 1.0
Ho Ho2 1 0.19294302 0.32939181 0.00000000 1.0
Ho Ho3 1 0.67036286 0.19283207 0.00000000 1.0
Ho Ho4 1 0.32963714 0.80716793 0.00000000 1.0
Ho Ho5 1 0.69237880 0.17021561 0.50000000 1.0
Ho Ho6 1 0.30762120 0.82978439 0.50000000 1.0
Ho Ho7 1 0.80705698 0.67060819 0.00000000 1.0
Co Co8 1 0.00000000 0.00000000 0.00000000 1.0
Co Co9 1 0.50000000 0.50000000 0.50000000 1.0
B B10 1 0.17389730 0.03833424 0.22971199 1.0
B B11 1 0.96118401 0.17375850 0.22944238 1.0
B B12 1 0.03881599 0.82624150 0.22944238 1.0
B B13 1 0.67383592 0.46112612 0.26945530 1.0
B B14 1 0.32616408 0.53887388 0.26945530 1.0
B B15 1 0.82610270 0.96166576 0.22971199 1.0
B B16 1 0.53822182 0.67385246 0.26955374 1.0
B B17 1 0.46177818 0.32614754 0.26955374 1.0
B B18 1 0.82610270 0.96166576 0.77028801 1.0
B B19 1 0.03881599 0.82624150 0.77055762 1.0
B B20 1 0.96118401 0.17375850 0.77055762 1.0
B B21 1 0.32616408 0.53887388 0.73054470 1.0
B B22 1 0.67383592 0.46112612 0.73054470 1.0
B B23 1 0.17389730 0.03833424 0.77028801 1.0
B B24 1 0.46177818 0.32614754 0.73044626 1.0
B B25 1 0.53822182 0.67385246 0.73044626 1.0
B B26 1 0.08821730 0.58814426 0.24860004 1.0
B B27 1 0.41186575 0.08816575 0.24965196 1.0
B B28 1 0.58813425 0.91183425 0.24965196 1.0
B B29 1 0.91178270 0.41185574 0.24860004 1.0
B B30 1 0.91178270 0.41185574 0.75139996 1.0
B B31 1 0.58813425 0.91183425 0.75034804 1.0
B B32 1 0.41186575 0.08816575 0.75034804 1.0
B B33 1 0.08821730 0.58814426 0.75139996 1.0
B B34 1 0.00000000 0.00000000 0.38820907 1.0
B B35 1 0.50000000 0.50000000 0.11138891 1.0
B B36 1 0.00000000 0.00000000 0.61179093 1.0
B B37 1 0.50000000 0.50000000 0.88861109 1.0
