Dy10Cu3SiB16

High-Entropy Materials HEA

MP-ID: mp-3294989 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy10Cu3SiB16

MP-ID

mp-3294989

Elements

Sites

Density

7.9389

g/cm³

Volume

421.82

Å³

Cell a

7.1250

Cell b

7.1250

Cell c

8.3092

α Angle

90.00

β Angle

90.00

γ Angle

89.88

Space Group

Amm2

Point Group

mm2

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
10.65	8.3092	6.2	(0,0,1)
20.60	4.3113	6.1	(1,1,1)
20.63	4.3049	4.8	(1,-1,1)
21.39	4.1546	16.0	(0,0,2)
25.00	3.5625	13.8	(2,0,0)
27.24	3.2743	28.8	(2,0,1)
27.82	3.2067	10.8	(1,1,2)
27.85	3.2040	8.6	(1,-1,2)
27.98	3.1890	31.3	(2,1,0)
28.03	3.1838	30.6	(2,-1,0)
30.01	2.9773	9.7	(2,1,1)
30.06	2.9730	10.1	(2,-1,1)
32.32	2.7697	31.3	(0,0,3)
33.13	2.7044	100.0	(2,0,2)
35.49	2.5297	65.8	(2,1,2)
35.52	2.5271	66.9	(2,-1,2)
35.60	2.5217	10.5	(2,2,0)
35.68	2.5165	13.7	(2,-2,0)
37.26	2.4130	1.0	(2,2,1)
37.34	2.4085	2.0	(2,-2,1)
39.99	2.2545	24.0	(3,1,0)
40.04	2.2517	20.0	(3,-1,0)
41.50	2.1759	4.8	(3,1,1)
41.55	2.1734	3.8	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.62171

eV/atom

Energy/atom

-16.57750

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.5775

eV/atom

Volume/atom

14.06

Å³

c/a Ratio

1.1662

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

0.567

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0451

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6889

J/mol·K

Ω Parameter

5.2056

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.330%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3761

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.346

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7539

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmgj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294989

Reference Citation

The crystal structure and related material properties of Dy10Cu3SiB16 were obtained from the Materials Project database (MP-ID: mp-3294989, 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_Dy10Cu3SiB16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12502883
_cell_length_b   7.12502883
_cell_length_c   8.30919251
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.88235000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10Cu3SiB16
_chemical_formula_sum   'Dy10 Cu3 Si1 B16'
_cell_volume   421.82387520
_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  0.68066410  0.17836219  0.21810942  1.0
  Dy  Dy1  1  0.32163781  0.81933590  0.78189058  1.0
  Dy  Dy2  1  0.32163781  0.81933590  0.21810942  1.0
  Dy  Dy3  1  0.81728497  0.68271503  0.21977704  1.0
  Dy  Dy4  1  0.81728497  0.68271503  0.78022296  1.0
  Dy  Dy5  1  0.68066410  0.17836219  0.78189058  1.0
  Dy  Dy6  1  0.18018120  0.31981880  0.78250845  1.0
  Dy  Dy7  1  0.18018120  0.31981880  0.21749155  1.0
  Dy  Dy8  1  0.00698848  0.00518418  0.50000000  1.0
  Dy  Dy9  1  0.49481582  0.49301152  0.50000000  1.0
  Cu  Cu10  1  0.11479896  0.61594993  0.50000000  1.0
  Cu  Cu11  1  0.88405007  0.38520104  0.50000000  1.0
  Cu  Cu12  1  0.38266343  0.11733657  0.50000000  1.0
  Si  Si13  1  0.61083413  0.88916587  0.50000000  1.0
  B  B14  1  0.17224547  0.03910141  0.00000000  1.0
  B  B15  1  0.82867867  0.95982141  0.00000000  1.0
  B  B16  1  0.95922128  0.17215598  0.00000000  1.0
  B  B17  1  0.32784402  0.54077872  0.00000000  1.0
  B  B18  1  0.04063685  0.82710540  0.00000000  1.0
  B  B19  1  0.67289460  0.45936315  0.00000000  1.0
  B  B20  1  0.54017859  0.67132133  0.00000000  1.0
  B  B21  1  0.46089859  0.32775453  0.00000000  1.0
  B  B22  1  0.09011167  0.59001941  0.00000000  1.0
  B  B23  1  0.90998059  0.40988833  0.00000000  1.0
  B  B24  1  0.41026441  0.08973559  0.00000000  1.0
  B  B25  1  0.59097411  0.90902589  0.00000000  1.0
  B  B26  1  0.00123007  0.00003801  0.15826431  1.0
  B  B27  1  0.00123007  0.00003801  0.84173569  1.0
  B  B28  1  0.49996199  0.49876993  0.84173569  1.0
  B  B29  1  0.49996199  0.49876993  0.15826431  1.0

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