Basic Information
Formula
Dy3Co11B4
MP-ID
mp-30907
Elements
3
Sites
18
Density
9.1777
g/cm³
Volume
213.32
ų
Cell a
5.0248
Å
Cell b
5.0248
Å
Cell c
9.7557
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 20.41 | 4.3516 | 25.0 | (1,0,-1,0) |
| 22.37 | 3.9742 | 1.5 | (1,0,-1,1) |
| 27.43 | 3.2519 | 2.2 | (0,0,0,3) |
| 34.43 | 2.6049 | 100.0 | (1,0,-1,3) |
| 35.74 | 2.5124 | 29.4 | (2,-1,-1,0) |
| 36.85 | 2.4389 | 6.1 | (0,0,0,4) |
| 36.95 | 2.4330 | 3.6 | (2,-1,-1,1) |
| 40.38 | 2.2336 | 7.0 | (2,-1,-1,2) |
| 41.50 | 2.1758 | 88.2 | (2,0,-2,0) |
| 42.49 | 2.1276 | 7.9 | (1,0,-1,4) |
| 42.57 | 2.1236 | 1.2 | (2,-2,0,1) |
| 42.57 | 2.1236 | 2.4 | (2,0,-2,1) |
| 45.63 | 1.9882 | 89.6 | (2,-1,-1,3) |
| 45.66 | 1.9871 | 1.0 | (2,-2,0,2) |
| 45.66 | 1.9871 | 2.1 | (2,0,-2,2) |
| 46.55 | 1.9511 | 3.3 | (0,0,0,5) |
| 55.90 | 1.6448 | 4.3 | (3,-1,-2,0) |
| 56.61 | 1.6259 | 9.6 | (0,0,0,6) |
| 56.69 | 1.6236 | 3.3 | (2,0,-2,4) |
| 60.04 | 1.5410 | 1.2 | (2,-1,-1,5) |
| 60.82 | 1.5231 | 2.0 | (1,-1,0,6) |
| 60.82 | 1.5231 | 4.0 | (1,0,-1,6) |
| 63.37 | 1.4677 | 11.3 | (3,-2,-1,3) |
| 63.37 | 1.4677 | 22.7 | (3,-1,-2,3) |
Energy Properties
Formation Energy/atom
-0.35310
eV/atom
Energy/atom
-6.96645
eV/atom
Energy above Hull
0.0047
eV/atom
Uncorrected Energy
-6.9665
eV/atom
Volume/atom
11.85
ų
c/a Ratio
1.9415
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.4351
μB
Mag. Ordering
FiM
Mag. Sites
14
Magnetization/Volume
0.030170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.611
Element Family
3d-TM
Solute Fraction
0.389
Interstitial Fraction
0.222
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9338
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7638
J/mol·K
Ω Parameter
0.5979
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.900%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2697
smaller = more stable mixing
VEC
7.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-24.444
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8500
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30907
Reference Citation
The crystal structure and related material properties of Dy3Co11B4 were obtained from the Materials Project database (MP-ID: mp-30907, 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_Dy3Co11B4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02483856
_cell_length_b 5.02483856
_cell_length_c 9.75566400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000732
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy3Co11B4
_chemical_formula_sum 'Dy3 Co11 B4'
_cell_volume 213.32004144
_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
Dy Dy0 1 0.00000000 0.00000000 0.65836400 1.0
Dy Dy1 1 0.00000000 0.00000000 0.34163600 1.0
Dy Dy2 1 0.00000000 0.00000000 0.00000000 1.0
Co Co3 1 0.50000000 0.50000000 0.50000000 1.0
Co Co4 1 0.00000000 0.50000000 0.50000000 1.0
Co Co5 1 0.50000000 0.00000000 0.20251100 1.0
Co Co6 1 0.50000000 0.50000000 0.20251100 1.0
Co Co7 1 0.00000000 0.50000000 0.20251100 1.0
Co Co8 1 0.50000000 0.00000000 0.79748900 1.0
Co Co9 1 0.50000000 0.50000000 0.79748900 1.0
Co Co10 1 0.00000000 0.50000000 0.79748900 1.0
Co Co11 1 0.33333300 0.66666700 0.00000000 1.0
Co Co12 1 0.66666700 0.33333300 0.00000000 1.0
Co Co13 1 0.50000000 0.00000000 0.50000000 1.0
B B14 1 0.33333300 0.66666700 0.65027600 1.0
B B15 1 0.66666700 0.33333300 0.65027600 1.0
B B16 1 0.66666700 0.33333300 0.34972400 1.0
B B17 1 0.33333300 0.66666700 0.34972400 1.0
