DyEr(GePt2)2

High-Entropy Materials HEA

MP-ID: mp-3247349 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

DyEr(GePt2)2

MP-ID

mp-3247349

Elements

Sites

Density

14.6239

g/cm³

Volume

142.55

Å³

Cell a

5.4745

Cell b

5.4745

Cell c

7.1548

α Angle

90.00

β Angle

90.00

γ Angle

138.34

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
21.35	4.1619	4.1	(1,-1,1)
24.46	3.6393	14.5	(1,0,0)
24.89	3.5774	4.2	(0,0,2)
27.50	3.2438	11.9	(1,0,1)
30.49	2.9319	11.4	(1,-1,2)
34.97	2.5658	60.1	(1,-2,0)
34.97	2.5658	60.1	(2,-1,0)
35.08	2.5583	22.9	(2,-2,0)
35.18	2.5512	100.0	(0,1,2)
35.18	2.5512	100.0	(1,0,2)
37.23	2.4152	46.2	(1,-2,1)
37.23	2.4152	46.2	(2,-1,1)
37.33	2.4090	30.5	(2,-2,1)
41.79	2.1617	71.2	(1,-1,3)
43.40	2.0850	14.5	(1,-2,2)
43.40	2.0850	14.5	(2,-1,2)
43.49	2.0810	73.0	(2,-2,2)
45.47	1.9948	50.7	(1,0,3)
46.65	1.9469	66.3	(1,1,0)
50.37	1.8117	5.5	(2,-3,0)
50.37	1.8117	5.5	(3,-2,0)
51.06	1.7887	16.1	(0,0,4)
52.45	1.7445	2.2	(2,-2,3)
53.59	1.7101	1.2	(1,1,2)

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Energy Properties

Formation Energy/atom

-1.12185

eV/atom

Energy/atom

-38.57211

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.5721

eV/atom

Volume/atom

17.82

Å³

c/a Ratio

1.3069

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

4.0461

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.812%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4301

smaller = more stable mixing

VEC

8.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.383

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctub

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247349

Reference Citation

The crystal structure and related material properties of DyEr(GePt2)2 were obtained from the Materials Project database (MP-ID: mp-3247349, 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_DyEr(GePt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47454158
_cell_length_b   5.47454220
_cell_length_c   7.15480061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.33588080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyEr(GePt2)2
_chemical_formula_sum   'Dy1 Er1 Ge2 Pt4'
_cell_volume   142.54753523
_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  0.45023525  0.54976675  0.75000100  1.0
  Er  Er1  1  0.54911037  0.45089163  0.25000000  1.0
  Ge  Ge2  1  0.26634537  0.73365563  0.25000000  1.0
  Ge  Ge3  1  0.73344864  0.26655236  0.75000100  1.0
  Pt  Pt4  1  0.86383433  0.13616667  0.05138499  1.0
  Pt  Pt5  1  0.86383433  0.13616667  0.44861501  1.0
  Pt  Pt6  1  0.13659835  0.86340265  0.54999307  1.0
  Pt  Pt7  1  0.13659835  0.86340265  0.95000693  1.0

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