DyHo(Be11Cu2)2

High-Entropy Materials HEA

MP-ID: mp-3296226 · Space group: F222 (#22)

Materials Project API

Basic Information

Formula

DyHo(Be11Cu2)2

MP-ID

mp-3296226

Elements

Sites

Density

4.6558

g/cm³

Volume

278.16

Å³

Cell a

7.3444

Cell b

7.3394

Cell c

7.2981

α Angle

60.23

β Angle

60.17

γ Angle

59.61

Space Group

F222

Point Group

222

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
14.81	5.9825	3.6	(0,0,1)
14.81	5.9824	3.6	(1,0,0)
14.81	5.9823	3.6	(0,1,0)
14.81	5.9823	3.6	(1,1,1)
16.98	5.2224	100.0	(1,1,0)
17.19	5.1570	37.7	(0,1,1)
24.24	3.6720	4.7	(0,1,-1)
24.24	3.6720	4.7	(2,1,1)
24.25	3.6695	21.2	(1,0,-1)
24.26	3.6694	21.2	(1,2,1)
24.39	3.6491	21.8	(1,1,2)
24.39	3.6490	21.8	(1,-1,0)
28.40	3.1424	4.8	(1,1,-1)
28.40	3.1424	4.8	(2,1,0)
28.40	3.1423	4.8	(1,2,0)
28.40	3.1423	4.8	(2,2,1)
29.87	2.9913	14.6	(0,0,2)
29.87	2.9912	14.6	(2,0,0)
29.87	2.9912	14.6	(0,2,0)
29.87	2.9912	14.6	(2,2,2)
34.34	2.6112	7.8	(2,2,0)
34.74	2.5820	31.0	(2,0,2)
37.77	2.3819	2.2	(0,1,-2)
37.77	2.3818	2.2	(0,2,-1)

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Energy Properties

Formation Energy/atom

-0.22136

eV/atom

Energy/atom

-7.49584

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.4958

eV/atom

Volume/atom

9.93

Å³

c/a Ratio

0.9937

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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

Be · 0.786

Element Family

Alkali-AlkEarth

Solute Fraction

0.214

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7055

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.8654

J/mol·K

Ω Parameter

5.0350

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.936%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1535

smaller = more stable mixing

VEC

3.893

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.796

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5089

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoby

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296226

Reference Citation

The crystal structure and related material properties of DyHo(Be11Cu2)2 were obtained from the Materials Project database (MP-ID: mp-3296226, 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_DyHo(Be11Cu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34435781
_cell_length_b   7.33939159
_cell_length_c   7.29811908
_cell_angle_alpha   60.23197873
_cell_angle_beta   60.16565369
_cell_angle_gamma   59.60521228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHo(Be11Cu2)2
_chemical_formula_sum   'Dy1 Ho1 Be22 Cu4'
_cell_volume   278.15567324
_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  0.24997811  0.24999901  0.25001359  1.0
  Ho  Ho1  1  0.75000611  0.75001992  0.74996510  1.0
  Be  Be2  1  0.50000008  0.50000663  0.49999088  1.0
  Be  Be3  1  0.99999882  0.00000011  0.99999947  1.0
  Be  Be4  1  0.28114012  0.93124102  0.71900812  1.0
  Be  Be5  1  0.71898621  0.06862680  0.28112619  1.0
  Be  Be6  1  0.93126132  0.28115504  0.06860474  1.0
  Be  Be7  1  0.06861325  0.71897112  0.93126732  1.0
  Be  Be8  1  0.20273491  0.79718471  0.56118183  1.0
  Be  Be9  1  0.79720222  0.20275048  0.43887763  1.0
  Be  Be10  1  0.43885236  0.56120725  0.79722109  1.0
  Be  Be11  1  0.56121075  0.43886054  0.20271504  1.0
  Be  Be12  1  0.71235033  0.28769423  0.93378181  1.0
  Be  Be13  1  0.28769734  0.71236403  0.06616783  1.0
  Be  Be14  1  0.06630470  0.93370592  0.28748215  1.0
  Be  Be15  1  0.93364085  0.06624132  0.71256716  1.0
  Be  Be16  1  0.56483653  0.20439088  0.79550335  1.0
  Be  Be17  1  0.43534147  0.79544440  0.20432669  1.0
  Be  Be18  1  0.79539689  0.43523006  0.56495682  1.0
  Be  Be19  1  0.20441589  0.56493045  0.43523000  1.0
  Be  Be20  1  0.93846687  0.71240375  0.28769024  1.0
  Be  Be21  1  0.06144425  0.28767605  0.71240193  1.0
  Be  Be22  1  0.28769417  0.06144923  0.93844859  1.0
  Be  Be23  1  0.71239978  0.93846576  0.06145761  1.0
  Cu  Cu24  1  0.80396997  0.55843017  0.19560563  1.0
  Cu  Cu25  1  0.19559753  0.44200891  0.80394790  1.0
  Cu  Cu26  1  0.55842836  0.80396385  0.44203129  1.0
  Cu  Cu27  1  0.44203181  0.19557935  0.55843004  1.0

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