YbDy3(MgPt)4

High-Entropy Materials HEA

MP-ID: mp-3293106 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

YbDy3(MgPt)4

MP-ID

mp-3293106

Elements

Sites

Density

10.1683

g/cm³

Volume

251.18

Å³

Cell a

4.1687

Cell b

7.0821

Cell c

8.5080

α Angle

89.86

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
16.26	5.4498	13.7	(0,1,1)
16.30	5.4364	11.5	(0,1,-1)
20.88	4.2540	15.4	(0,0,2)
24.38	3.6507	35.1	(0,1,2)
24.44	3.6427	36.5	(0,1,-2)
25.15	3.5410	4.0	(0,2,0)
26.93	3.3111	51.8	(1,1,1)
26.95	3.3081	44.2	(1,1,-1)
27.25	3.2721	4.5	(0,2,1)
27.30	3.2663	5.4	(0,2,-1)
32.60	2.7464	29.4	(1,1,2)
32.65	2.7430	34.9	(1,1,-2)
32.87	2.7249	7.1	(0,2,2)
32.95	2.7182	4.8	(0,2,-2)
33.20	2.6988	15.5	(1,2,0)
34.02	2.6350	20.7	(0,1,3)
34.08	2.6305	17.5	(0,1,-3)
34.86	2.5739	91.6	(1,2,1)
34.90	2.5711	100.0	(1,2,-1)
38.39	2.3448	35.5	(1,0,3)
39.59	2.2762	2.8	(0,3,1)
39.65	2.2733	3.0	(0,3,-1)
40.50	2.2274	30.1	(1,1,3)
40.55	2.2246	31.5	(1,1,-3)

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Energy Properties

Formation Energy/atom

-1.04302

eV/atom

Energy/atom

-30.63492

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.6349

eV/atom

Volume/atom

20.93

Å³

c/a Ratio

2.0409

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0073

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

0.5776

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.345%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4889

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.756

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjly

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293106

Reference Citation

The crystal structure and related material properties of YbDy3(MgPt)4 were obtained from the Materials Project database (MP-ID: mp-3293106, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_YbDy3(MgPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16867058
_cell_length_b   7.08206573
_cell_length_c   8.50797354
_cell_angle_alpha   89.85645626
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbDy3(MgPt)4
_chemical_formula_sum   'Yb1 Dy3 Mg4 Pt4'
_cell_volume   251.17840517
_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
  Yb  Yb0  1  0.75000000  0.46277239  0.82359822  1.0
  Dy  Dy1  1  0.25000000  0.03849567  0.32465658  1.0
  Dy  Dy2  1  0.25000000  0.53976657  0.17462259  1.0
  Dy  Dy3  1  0.75000000  0.95844814  0.67559616  1.0
  Mg  Mg4  1  0.25000000  0.63246221  0.56171907  1.0
  Mg  Mg5  1  0.25000000  0.13801246  0.94016262  1.0
  Mg  Mg6  1  0.75000000  0.36453492  0.44085743  1.0
  Mg  Mg7  1  0.75000000  0.86605245  0.05920354  1.0
  Pt  Pt8  1  0.25000000  0.24421608  0.62098050  1.0
  Pt  Pt9  1  0.25000000  0.75788565  0.87380998  1.0
  Pt  Pt10  1  0.75000000  0.74877926  0.37460590  1.0
  Pt  Pt11  1  0.75000000  0.24857321  0.13018641  1.0

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