Dy2Y2ErPt4
High-Entropy Materials HEAMP-ID: mp-3294432 · Space group: Pnma (#62)
Basic Information
Formula
Dy2Y2ErPt4
MP-ID
mp-3294432
Elements
4
Sites
36
Density
11.7419
g/cm³
Volume
820.46
ų
Cell a
7.4160
Å
Cell b
7.5700
Å
Cell c
14.6150
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.11 | 7.3075 | 16.4 | (0,0,2) |
| 13.17 | 6.7218 | 9.2 | (0,1,1) |
| 16.74 | 5.2975 | 15.2 | (1,1,0) |
| 20.71 | 4.2890 | 14.5 | (1,1,2) |
| 21.69 | 4.0966 | 7.1 | (0,1,3) |
| 23.50 | 3.7850 | 9.8 | (0,2,0) |
| 24.00 | 3.7080 | 14.6 | (2,0,0) |
| 24.36 | 3.6538 | 11.1 | (0,0,4) |
| 24.83 | 3.5859 | 17.2 | (1,1,3) |
| 26.52 | 3.3609 | 2.7 | (0,2,2) |
| 26.96 | 3.3067 | 1.2 | (2,0,2) |
| 27.15 | 3.2850 | 1.7 | (1,2,1) |
| 29.48 | 3.0302 | 7.9 | (2,1,2) |
| 30.29 | 2.9506 | 2.8 | (2,0,3) |
| 32.29 | 2.7722 | 100.0 | (1,2,3) |
| 32.57 | 2.7491 | 76.0 | (2,1,3) |
| 32.85 | 2.7268 | 4.4 | (0,1,5) |
| 33.84 | 2.6487 | 19.8 | (2,2,0) |
| 34.11 | 2.6288 | 42.2 | (0,2,4) |
| 34.41 | 2.6063 | 30.8 | (2,2,1) |
| 34.46 | 2.6026 | 6.8 | (2,0,4) |
| 35.06 | 2.5593 | 46.0 | (1,1,5) |
| 36.07 | 2.4902 | 8.7 | (2,2,2) |
| 36.12 | 2.4865 | 1.7 | (0,3,1) |
Energy Properties
Formation Energy/atom
-1.28275
eV/atom
Energy/atom
-39.55687
eV/atom
Energy above Hull
0.0001
eV/atom
Uncorrected Energy
-39.5569
eV/atom
Volume/atom
22.79
ų
c/a Ratio
1.9708
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0199
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.444
Element Family
5d-TM
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2730
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.5840
J/mol·K
Ω Parameter
0.6848
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.848%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5248
smaller = more stable mixing
VEC
8.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-29.063
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9183
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294432
Reference Citation
The crystal structure and related material properties of Dy2Y2ErPt4 were obtained from the Materials Project database (MP-ID: mp-3294432, 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_Dy2Y2ErPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41596719
_cell_length_b 7.56995971
_cell_length_c 14.61498801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2Y2ErPt4
_chemical_formula_sum 'Dy8 Y8 Er4 Pt16'
_cell_volume 820.46456804
_cell_formula_units_Z 4
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 0.65488866 0.83447426 0.62187433 1.0
Dy Dy1 1 0.15488866 0.66552574 0.87812567 1.0
Dy Dy2 1 0.84511134 0.33447426 0.37812567 1.0
Dy Dy3 1 0.34511134 0.16552574 0.12187433 1.0
Dy Dy4 1 0.34511134 0.16552574 0.37812567 1.0
Dy Dy5 1 0.84511134 0.33447426 0.12187433 1.0
Dy Dy6 1 0.15488866 0.66552574 0.62187433 1.0
Dy Dy7 1 0.65488866 0.83447426 0.87812567 1.0
Y Y8 1 0.00098567 0.81894742 0.40519984 1.0
Y Y9 1 0.50098567 0.68105258 0.09480016 1.0
Y Y10 1 0.49901433 0.31894742 0.59480016 1.0
Y Y11 1 0.99901433 0.18105258 0.90519984 1.0
Y Y12 1 0.99901433 0.18105258 0.59480016 1.0
Y Y13 1 0.49901433 0.31894742 0.90519984 1.0
Y Y14 1 0.50098567 0.68105258 0.40519984 1.0
Y Y15 1 0.00098567 0.81894742 0.09480016 1.0
Er Er16 1 0.68235440 0.98841285 0.25000000 1.0
Er Er17 1 0.18235440 0.51158715 0.25000000 1.0
Er Er18 1 0.81764560 0.48841285 0.75000000 1.0
Er Er19 1 0.31764560 0.01158715 0.75000000 1.0
Pt Pt20 1 0.81133789 0.64037786 0.25000000 1.0
Pt Pt21 1 0.31133789 0.85962214 0.25000000 1.0
Pt Pt22 1 0.68866211 0.14037786 0.75000000 1.0
Pt Pt23 1 0.18866211 0.35962214 0.75000000 1.0
Pt Pt24 1 0.55093127 0.38514108 0.25000000 1.0
Pt Pt25 1 0.05093127 0.11485892 0.25000000 1.0
Pt Pt26 1 0.94906873 0.88514108 0.75000000 1.0
Pt Pt27 1 0.44906873 0.61485892 0.75000000 1.0
Pt Pt28 1 0.81403760 0.52894954 0.54473541 1.0
Pt Pt29 1 0.31403760 0.97105046 0.95526459 1.0
Pt Pt30 1 0.68596240 0.02894954 0.45526459 1.0
Pt Pt31 1 0.18596240 0.47105046 0.04473541 1.0
Pt Pt32 1 0.18596240 0.47105046 0.45526459 1.0
Pt Pt33 1 0.68596240 0.02894954 0.04473541 1.0
Pt Pt34 1 0.31403760 0.97105046 0.54473541 1.0
Pt Pt35 1 0.81403760 0.52894954 0.95526459 1.0
