EuDy(Cu2P)4

High-Entropy Materials HEA

MP-ID: mp-3293898 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

EuDy(Cu2P)4

MP-ID

mp-3293898

Elements

Sites

Density

7.8655

g/cm³

Volume

199.87

Å³

Cell a

7.2464

Cell b

7.2464

Cell c

3.8067

α Angle

90.00

β Angle

90.00

γ Angle

89.23

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
17.19	5.1582	2.4	(1,1,0)
17.42	5.0895	2.6	(1,-1,0)
24.57	3.6229	21.7	(2,0,0)
26.45	3.3699	31.3	(1,0,1)
29.16	3.0629	4.9	(1,1,1)
29.30	3.0483	4.9	(1,-1,1)
34.78	2.5791	8.7	(2,2,0)
35.27	2.5448	9.0	(2,-2,0)
36.29	2.4752	50.3	(2,1,1)
36.29	2.4752	50.3	(1,2,1)
36.53	2.4598	100.0	(2,-1,1)
39.16	2.3006	46.5	(3,1,0)
39.49	2.2822	41.8	(3,-1,0)
42.33	2.1352	22.4	(2,2,1)
42.74	2.1156	26.8	(2,-2,1)
44.42	2.0394	1.4	(3,0,1)
44.42	2.0394	1.4	(0,3,1)
44.82	2.0222	4.2	(3,2,0)
45.41	1.9973	3.0	(3,-2,0)
46.10	1.9689	11.7	(3,1,1)
46.10	1.9689	11.7	(1,3,1)
46.39	1.9574	19.9	(3,-1,1)
47.79	1.9033	41.4	(0,0,2)
51.15	1.7858	1.7	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.55966

eV/atom

Energy/atom

-14.36576

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.3658

eV/atom

Volume/atom

14.28

Å³

c/a Ratio

0.5253

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.9424

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.034730

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.286

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

1.0216

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.767%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3030

smaller = more stable mixing

VEC

8.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.143

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkqk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293898

Reference Citation

The crystal structure and related material properties of EuDy(Cu2P)4 were obtained from the Materials Project database (MP-ID: mp-3293898, 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_EuDy(Cu2P)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24639758
_cell_length_b   7.24639627
_cell_length_c   3.80664922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.23241580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuDy(Cu2P)4
_chemical_formula_sum   'Eu1 Dy1 Cu8 P4'
_cell_volume   199.87023518
_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
  Eu  Eu0  1  0.50000000  0.50000000  0.50000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.66515673  0.91667162  0.50000000  1.0
  Cu  Cu3  1  0.15977197  0.58536404  0.00000000  1.0
  Cu  Cu4  1  0.41463596  0.84022803  0.00000000  1.0
  Cu  Cu5  1  0.91667162  0.66515673  0.50000000  1.0
  Cu  Cu6  1  0.84022803  0.41463596  0.00000000  1.0
  Cu  Cu7  1  0.58536404  0.15977197  0.00000000  1.0
  Cu  Cu8  1  0.08332838  0.33484327  0.50000000  1.0
  Cu  Cu9  1  0.33484327  0.08332838  0.50000000  1.0
  P  P10  1  0.27957195  0.27957195  0.00000000  1.0
  P  P11  1  0.72042805  0.72042805  0.00000000  1.0
  P  P12  1  0.78839402  0.21160598  0.50000000  1.0
  P  P13  1  0.21160598  0.78839402  0.50000000  1.0

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