Dy4ScIr2Os
High-Entropy Materials HEAMP-ID: mp-3295181 · Space group: P4/ncc (#130)
Basic Information
Formula
Dy4ScIr2Os
MP-ID
mp-3295181
Elements
4
Sites
32
Density
11.7665
g/cm³
Volume
716.70
ų
Cell a
10.6618
Å
Cell b
10.6618
Å
Cell c
6.3049
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/ncc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 11.74 | 7.5390 | 36.1 | (1,1,0) |
| 23.39 | 3.8030 | 38.9 | (2,1,1) |
| 26.44 | 3.3715 | 15.7 | (3,1,0) |
| 28.31 | 3.1525 | 13.0 | (0,0,2) |
| 29.55 | 3.0231 | 13.3 | (1,0,2) |
| 30.06 | 2.9731 | 82.9 | (3,1,1) |
| 30.74 | 2.9084 | 3.9 | (1,1,2) |
| 33.01 | 2.7135 | 7.0 | (2,0,2) |
| 33.47 | 2.6772 | 100.0 | (3,2,1) |
| 33.62 | 2.6654 | 1.4 | (4,0,0) |
| 34.09 | 2.6297 | 96.2 | (2,1,2) |
| 35.73 | 2.5130 | 4.1 | (3,3,0) |
| 37.60 | 2.3925 | 91.3 | (4,1,1) |
| 37.73 | 2.3840 | 72.6 | (4,2,0) |
| 38.16 | 2.3583 | 40.1 | (3,0,2) |
| 39.12 | 2.3027 | 29.7 | (3,1,2) |
| 40.45 | 2.2300 | 27.4 | (4,2,1) |
| 41.89 | 2.1567 | 29.3 | (3,2,2) |
| 43.27 | 2.0909 | 21.5 | (5,1,0) |
| 44.51 | 2.0354 | 20.7 | (4,0,2) |
| 44.87 | 2.0200 | 4.5 | (4,3,1) |
| 45.36 | 1.9993 | 1.9 | (4,1,2) |
| 45.72 | 1.9847 | 1.2 | (5,1,1) |
| 46.20 | 1.9651 | 10.9 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.76740
eV/atom
Energy/atom
-37.89610
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.8961
eV/atom
Volume/atom
22.40
ų
c/a Ratio
0.5914
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0051
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.500
Element Family
Lanthanide
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
2.1964
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.508%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4630
smaller = more stable mixing
VEC
8.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.940
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8750
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295181
Reference Citation
The crystal structure and related material properties of Dy4ScIr2Os were obtained from the Materials Project database (MP-ID: mp-3295181, 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_Dy4ScIr2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.66175306
_cell_length_b 10.66175306
_cell_length_c 6.30491272
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy4ScIr2Os
_chemical_formula_sum 'Dy16 Sc4 Ir8 Os4'
_cell_volume 716.69820793
_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 0.28999618 0.08477572 0.37669431 1.0
Dy Dy1 1 0.28999618 0.91522428 0.87669431 1.0
Dy Dy2 1 0.71000382 0.08477572 0.87669431 1.0
Dy Dy3 1 0.71000382 0.91522428 0.37669431 1.0
Dy Dy4 1 0.58477572 0.78999618 0.87669431 1.0
Dy Dy5 1 0.58477572 0.21000382 0.37669431 1.0
Dy Dy6 1 0.41522428 0.78999618 0.37669431 1.0
Dy Dy7 1 0.41522428 0.21000382 0.87669431 1.0
Dy Dy8 1 0.21000382 0.41522428 0.62330569 1.0
Dy Dy9 1 0.21000382 0.58477572 0.12330569 1.0
Dy Dy10 1 0.78999618 0.41522428 0.12330569 1.0
Dy Dy11 1 0.78999618 0.58477572 0.62330569 1.0
Dy Dy12 1 0.91522428 0.71000382 0.12330569 1.0
Dy Dy13 1 0.91522428 0.28999618 0.62330569 1.0
Dy Dy14 1 0.08477572 0.71000382 0.62330569 1.0
Dy Dy15 1 0.08477572 0.28999618 0.12330569 1.0
Sc Sc16 1 0.00000000 0.00000000 0.50000000 1.0
Sc Sc17 1 0.00000000 0.00000000 0.00000000 1.0
Sc Sc18 1 0.50000000 0.50000000 0.00000000 1.0
Sc Sc19 1 0.50000000 0.50000000 0.50000000 1.0
Ir Ir20 1 0.85373268 0.14626732 0.25000000 1.0
Ir Ir21 1 0.85373268 0.85373268 0.75000000 1.0
Ir Ir22 1 0.14626732 0.14626732 0.75000000 1.0
Ir Ir23 1 0.14626732 0.85373268 0.25000000 1.0
Ir Ir24 1 0.64626732 0.35373268 0.75000000 1.0
Ir Ir25 1 0.64626732 0.64626732 0.25000000 1.0
Ir Ir26 1 0.35373268 0.35373268 0.25000000 1.0
Ir Ir27 1 0.35373268 0.64626732 0.75000000 1.0
Os Os28 1 0.50000000 0.00000000 0.12502355 1.0
Os Os29 1 0.50000000 0.00000000 0.62502355 1.0
Os Os30 1 0.00000000 0.50000000 0.87497645 1.0
Os Os31 1 0.00000000 0.50000000 0.37497645 1.0
