Dy12In2CoOs3

High-Entropy Materials HEA

MP-ID: mp-3296731 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

Dy12In2CoOs3

MP-ID

mp-3296731

Elements

Sites

Density

10.1058

g/cm³

Volume

461.61

Å³

Cell a

8.4451

Cell b

8.4451

Cell c

8.4451

α Angle

112.68

β Angle

110.59

γ Angle

105.23

Space Group

Imm2

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
12.62	7.0146	2.0	(1,0,0)
12.80	6.9141	14.1	(1,0,-1)
13.20	6.7079	27.6	(1,-1,0)
17.29	5.1275	8.3	(1,1,-1)
18.96	4.6810	13.9	(1,-1,-1)
21.82	4.0737	4.0	(2,0,-1)
22.52	3.9474	2.0	(2,-1,0)
22.52	3.9474	6.0	(1,-2,1)
25.40	3.5073	2.6	(2,0,0)
25.77	3.4571	7.6	(2,0,-2)
26.58	3.3540	2.2	(2,-2,0)
26.58	3.3540	2.2	(0,0,2)
27.70	3.2209	16.1	(2,1,-1)
29.19	3.0594	6.4	(2,-1,1)
29.45	3.0325	1.6	(2,-2,1)
29.45	3.0325	1.6	(1,-1,2)
29.93	2.9855	3.8	(2,-1,-2)
30.11	2.9683	22.4	(2,-2,-1)
31.88	2.8068	27.1	(3,-1,-1)
31.88	2.8068	81.2	(1,1,-3)
33.56	2.6703	2.4	(3,0,-1)
33.78	2.6534	61.0	(3,0,-2)
34.36	2.6102	100.0	(3,-1,0)
34.93	2.5689	7.7	(3,-1,-2)

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Energy Properties

Formation Energy/atom

-0.37313

eV/atom

Energy/atom

-33.76917

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.7692

eV/atom

Volume/atom

25.64

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4316

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000940

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9736

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0949

J/mol·K

Ω Parameter

8.9587

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.621%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3878

smaller = more stable mixing

VEC

8.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.642

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7023

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfovj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296731

Reference Citation

The crystal structure and related material properties of Dy12In2CoOs3 were obtained from the Materials Project database (MP-ID: mp-3296731, 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_Dy12In2CoOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44512436
_cell_length_b   8.44512385
_cell_length_c   8.44512362
_cell_angle_alpha   112.67737040
_cell_angle_beta   110.59352272
_cell_angle_gamma   105.23167059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy12In2CoOs3
_chemical_formula_sum   'Dy12 In2 Co1 Os3'
_cell_volume   461.60530631
_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  0.44315472  0.24145637  0.20169935  1.0
  Dy  Dy1  1  0.55439404  0.75865749  0.79573555  1.0
  Dy  Dy2  1  0.03975702  0.24145637  0.79830065  1.0
  Dy  Dy3  1  0.96292194  0.75865749  0.20426445  1.0
  Dy  Dy4  1  0.18507502  0.28376409  0.46647950  1.0
  Dy  Dy5  1  0.81728459  0.71859452  0.53352050  1.0
  Dy  Dy6  1  0.18507502  0.71859452  0.90130993  1.0
  Dy  Dy7  1  0.81728459  0.28376409  0.09869007  1.0
  Dy  Dy8  1  0.32847906  0.64362934  0.31515028  1.0
  Dy  Dy9  1  0.67101535  0.35550475  0.68448840  1.0
  Dy  Dy10  1  0.32847906  0.01332978  0.68484972  1.0
  Dy  Dy11  1  0.67101535  0.98652695  0.31551160  1.0
  In  In12  1  0.50126716  0.50126716  0.00000000  1.0
  In  In13  1  0.99876840  0.99876840  0.00000000  1.0
  Co  Co14  1  0.88251455  0.38251455  0.50000000  1.0
  Os  Os15  1  0.33244212  0.00192330  0.33051882  1.0
  Os  Os16  1  0.67140449  0.00192330  0.66948118  1.0
  Os  Os17  1  0.10966753  0.60966753  0.50000000  1.0

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