DyY9Os4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294472 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

DyY9Os4

MP-ID

mp-3294472

Elements

Sites

Density

7.8137

g/cm³

Volume

366.29

Å³

Cell a

6.3923

Cell b

7.3769

Cell c

8.4597

α Angle

96.84

β Angle

112.20

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
11.39	7.7677	20.4	(0,0,1)
12.10	7.3156	2.1	(0,1,0)
14.99	5.9114	18.7	(1,0,-1)
15.53	5.7042	1.2	(0,1,-1)
18.83	4.7120	3.9	(1,1,-1)
18.83	4.7120	3.9	(1,-1,0)
19.77	4.4918	100.0	(1,-1,-1)
22.90	3.8839	19.5	(0,0,2)
24.15	3.6845	46.9	(1,1,-2)
25.55	3.4866	7.6	(0,2,-1)
26.32	3.3857	1.5	(1,-1,-2)
27.92	3.1961	4.5	(2,0,-1)
28.05	3.1809	13.4	(1,2,-1)
29.34	3.0446	9.1	(1,2,0)
30.24	2.9557	2.7	(2,0,-2)
30.52	2.9288	26.2	(2,1,-1)
31.36	2.8522	18.2	(1,2,-2)
31.36	2.8521	23.0	(0,2,-2)
32.03	2.7945	16.4	(1,0,-3)
32.03	2.7945	16.4	(1,0,2)
32.10	2.7883	16.9	(2,1,-2)
32.10	2.7883	16.9	(2,-1,0)
32.96	2.7173	19.2	(1,1,-3)
33.24	2.6951	29.6	(2,-1,-2)

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Energy Properties

Formation Energy/atom

-0.28532

eV/atom

Energy/atom

-30.76711

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.7671

eV/atom

Volume/atom

26.16

Å³

c/a Ratio

1.3234

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0932

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.643

Element Family

4d-TM

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8305

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9045

J/mol·K

Ω Parameter

0.5021

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.077%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4427

smaller = more stable mixing

VEC

4.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.543

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7559

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.613

Family

Y-rich Multi-Component

Matrix Element

Y · 0.643

Related Tasks

Related computation task IDs (1)

aaahflmm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294472

Reference Citation

The crystal structure and related material properties of DyY9Os4 were obtained from the Materials Project database (MP-ID: mp-3294472, 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_DyY9Os4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39228604
_cell_length_b   7.37684677
_cell_length_c   8.45973225
_cell_angle_alpha   96.83707709
_cell_angle_beta   112.19789580
_cell_angle_gamma   89.99999666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyY9Os4
_chemical_formula_sum   'Dy1 Y9 Os4'
_cell_volume   366.28618736
_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  0.57661342  0.75000000  1.00000000  1.0
  Y  Y1  1  0.79561315  0.08590299  0.81705148  1.0
  Y  Y2  1  0.97856167  0.41409701  0.18294852  1.0
  Y  Y3  1  0.20433861  0.91378026  0.18287166  1.0
  Y  Y4  1  0.02146695  0.58621974  0.81712834  1.0
  Y  Y5  1  0.20670215  0.18040080  0.56629881  1.0
  Y  Y6  1  0.64040334  0.31959920  0.43370119  1.0
  Y  Y7  1  0.79332447  0.81933296  0.43314259  1.0
  Y  Y8  1  0.36018188  0.68066704  0.56685741  1.0
  Y  Y9  1  0.42203037  0.25000000  0.00000000  1.0
  Os  Os10  1  0.60430713  0.42142517  0.78014082  1.0
  Os  Os11  1  0.82416631  0.07857483  0.21985918  1.0
  Os  Os12  1  0.39624628  0.57970471  0.22020001  1.0
  Os  Os13  1  0.17604627  0.92029529  0.77979999  1.0

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