Dy5Ge3B

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1181755 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Dy5Ge3B

MP-ID

mp-1181755

Elements

Sites

Density

8.3953

g/cm³

Volume

411.90

Å³

Cell a

8.6405

Cell b

8.6405

Cell c

6.3707

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
20.56	4.3203	4.3	(2,-1,-1,0)
23.78	3.7415	12.5	(2,0,-2,0)
24.90	3.5756	10.7	(2,-1,-1,1)
28.01	3.1853	11.0	(0,0,0,2)
30.50	2.9308	30.9	(1,0,-1,2)
31.64	2.8283	39.9	(3,-1,-2,0)
34.70	2.5850	100.0	(3,-1,-2,1)
35.00	2.5638	81.5	(2,-1,-1,2)
36.01	2.4943	36.0	(3,0,-3,0)
37.07	2.4254	2.7	(2,0,-2,2)
41.82	2.1601	1.6	(4,-2,-2,0)
43.61	2.0754	1.3	(4,-1,-3,0)
44.28	2.0457	5.2	(4,-2,-2,1)
45.99	1.9733	2.7	(4,-1,-3,1)
46.23	1.9638	1.3	(3,0,-3,2)
47.72	1.9058	1.9	(2,-1,-1,3)
48.67	1.8707	3.5	(4,0,-4,0)
51.09	1.7878	23.2	(4,-2,-2,2)
52.64	1.7389	3.8	(4,-1,-3,2)
52.64	1.7389	1.9	(4,-3,-1,2)
53.37	1.7167	2.2	(5,-2,-3,0)
54.00	1.6982	28.3	(3,-1,-2,3)
55.43	1.6576	11.5	(5,-2,-3,1)
56.34	1.6329	16.4	(5,-1,-4,0)

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Energy Properties

Formation Energy/atom

-0.75829

eV/atom

Energy/atom

-23.96621

eV/atom

Energy above Hull

0.1317

eV/atom

Uncorrected Energy

-5.4838

eV/atom

Volume/atom

22.88

Å³

c/a Ratio

0.7373

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1475

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

15.3383

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.748%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3964

smaller = more stable mixing

VEC

7.222

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.812

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.475

Family

Interstitial Alloy

Matrix Element

Dy · 0.556

Related Tasks

Related computation task IDs (5)

aaaddmmh aaadpesq aaadrggd aaaetndo aaafygyk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1181755

Reference Citation

The crystal structure and related material properties of Dy5Ge3B were obtained from the Materials Project database (MP-ID: mp-1181755, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Dy5Ge3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64050180
_cell_length_b   8.64050180
_cell_length_c   6.37065700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Ge3B
_chemical_formula_sum   'Dy10 Ge6 B2'
_cell_volume   411.90094781
_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
  Dy  Dy0  1  0.66666700  0.33333300  0.50000000  1.0
  Dy  Dy1  1  0.33333300  0.66666700  0.50000000  1.0
  Dy  Dy2  1  0.33333300  0.66666700  0.00000000  1.0
  Dy  Dy3  1  0.66666700  0.33333300  0.00000000  1.0
  Dy  Dy4  1  0.76144200  0.76144200  0.25000000  1.0
  Dy  Dy5  1  0.23855800  0.00000000  0.25000000  1.0
  Dy  Dy6  1  0.00000000  0.23855800  0.25000000  1.0
  Dy  Dy7  1  0.23855800  0.23855800  0.75000000  1.0
  Dy  Dy8  1  0.76144200  0.00000000  0.75000000  1.0
  Dy  Dy9  1  0.00000000  0.76144200  0.75000000  1.0
  Ge  Ge10  1  0.39683300  0.39683300  0.25000000  1.0
  Ge  Ge11  1  0.60316700  0.00000000  0.25000000  1.0
  Ge  Ge12  1  0.00000000  0.60316700  0.25000000  1.0
  Ge  Ge13  1  0.60316700  0.60316700  0.75000000  1.0
  Ge  Ge14  1  0.39683300  0.00000000  0.75000000  1.0
  Ge  Ge15  1  0.00000000  0.39683300  0.75000000  1.0
  B  B16  1  0.00000000  0.00000000  0.50000000  1.0
  B  B17  1  0.00000000  0.00000000  0.00000000  1.0

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