Dy5GaGeB8

High-Entropy Materials HEA

MP-ID: mp-3292825 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Dy5GaGeB8

MP-ID

mp-3292825

Elements

Sites

Density

8.0776

g/cm³

Volume

428.15

Å³

Cell a

7.2369

Cell b

7.2369

Cell c

8.1752

α Angle

90.00

β Angle

90.00

γ Angle

89.63

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
10.82	8.1752	13.4	(0,0,1)
20.43	4.3477	4.3	(1,1,1)
20.52	4.3274	3.2	(1,-1,1)
21.74	4.0876	12.5	(0,0,2)
24.60	3.6184	14.6	(2,0,0)
26.95	3.3088	27.6	(2,0,1)
27.49	3.2449	28.1	(2,1,0)
27.63	3.2280	26.8	(2,-1,0)
27.90	3.1978	7.6	(1,1,2)
27.97	3.1897	8.3	(1,-1,2)
29.62	3.0160	11.5	(2,1,1)
29.76	3.0024	13.0	(2,-1,1)
32.87	2.7251	30.6	(0,0,3)
33.06	2.7094	100.0	(2,0,2)
34.95	2.5670	12.1	(2,2,0)
35.19	2.5503	13.1	(2,-2,0)
35.32	2.5414	72.3	(2,1,2)
35.43	2.5333	72.5	(2,-1,2)
36.69	2.4491	1.6	(2,2,1)
36.92	2.4346	1.6	(2,-2,1)
39.29	2.2930	26.1	(3,1,0)
39.45	2.2840	22.0	(3,-1,0)
40.88	2.2078	5.3	(3,1,1)
41.03	2.1998	5.9	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.74520

eV/atom

Energy/atom

-17.01151

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.0115

eV/atom

Volume/atom

14.27

Å³

c/a Ratio

1.1297

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0382

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.533

Element Family

Metalloid-Nonmetal

Solute Fraction

0.467

Interstitial Fraction

0.533

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0625

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8339

J/mol·K

Ω Parameter

7.9629

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.230%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3785

smaller = more stable mixing

VEC

5.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.123

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7665

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjbd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292825

Reference Citation

The crystal structure and related material properties of Dy5GaGeB8 were obtained from the Materials Project database (MP-ID: mp-3292825, 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_Dy5GaGeB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23690638
_cell_length_b   7.23690632
_cell_length_c   8.17519532
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.62559848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5GaGeB8
_chemical_formula_sum   'Dy10 Ga2 Ge2 B16'
_cell_volume   428.14883912
_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  0.67921577  0.17921577  0.22257734  1.0
  Dy  Dy1  1  0.32078423  0.82078423  0.77742266  1.0
  Dy  Dy2  1  0.32078423  0.82078423  0.22257734  1.0
  Dy  Dy3  1  0.81729133  0.68270867  0.21770149  1.0
  Dy  Dy4  1  0.81729133  0.68270867  0.78229851  1.0
  Dy  Dy5  1  0.67921577  0.17921577  0.77742266  1.0
  Dy  Dy6  1  0.18270867  0.31729133  0.78229851  1.0
  Dy  Dy7  1  0.18270867  0.31729133  0.21770149  1.0
  Dy  Dy8  1  0.00000000  0.00000000  0.50000000  1.0
  Dy  Dy9  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga10  1  0.11586669  0.61586669  0.50000000  1.0
  Ga  Ga11  1  0.88413331  0.38413331  0.50000000  1.0
  Ge  Ge12  1  0.37949426  0.12050574  0.50000000  1.0
  Ge  Ge13  1  0.62050574  0.87949426  0.50000000  1.0
  B  B14  1  0.17161117  0.03928384  0.00000000  1.0
  B  B15  1  0.82838883  0.96071616  0.00000000  1.0
  B  B16  1  0.95961668  0.17178098  0.00000000  1.0
  B  B17  1  0.32821902  0.54038332  0.00000000  1.0
  B  B18  1  0.04038332  0.82821902  0.00000000  1.0
  B  B19  1  0.67178098  0.45961668  0.00000000  1.0
  B  B20  1  0.53928384  0.67161117  0.00000000  1.0
  B  B21  1  0.46071616  0.32838883  0.00000000  1.0
  B  B22  1  0.09124171  0.59124171  0.00000000  1.0
  B  B23  1  0.90875829  0.40875829  0.00000000  1.0
  B  B24  1  0.40851027  0.09148973  0.00000000  1.0
  B  B25  1  0.59148973  0.90851027  0.00000000  1.0
  B  B26  1  0.00000000  0.00000000  0.16081034  1.0
  B  B27  1  0.00000000  0.00000000  0.83918966  1.0
  B  B28  1  0.50000000  0.50000000  0.83918966  1.0
  B  B29  1  0.50000000  0.50000000  0.16081034  1.0

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