Y20Cd3Ag3Os2

High-Entropy Materials HEA

MP-ID: mp-3296286 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Y20Cd3Ag3Os2

MP-ID

mp-3296286

Elements

Sites

Density

6.0005

g/cm³

Volume

780.23

Å³

Cell a

9.5881

Cell b

9.5881

Cell c

9.7999

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
13.98	6.3352	19.4	(1,0,-1,1)
18.10	4.9000	10.6	(0,0,0,2)
18.51	4.7941	6.7	(2,-1,-1,0)
21.40	4.1518	2.3	(2,0,-2,0)
23.27	3.8229	19.0	(2,0,-2,1)
26.00	3.4267	2.3	(2,-1,-1,2)
28.17	3.1676	1.9	(2,-2,0,2)
28.44	3.1385	3.5	(3,-1,-2,0)
29.38	3.0399	9.4	(1,0,-1,3)
29.89	2.9889	7.2	(3,-1,-2,1)
32.34	2.7679	6.1	(3,0,-3,0)
33.65	2.6637	63.1	(3,0,-3,1)
33.92	2.6428	100.0	(3,-1,-2,2)
34.95	2.5673	54.7	(2,0,-2,3)
36.68	2.4500	15.6	(0,0,0,4)
37.52	2.3970	6.0	(4,-2,-2,0)
37.52	2.3970	12.1	(2,2,-4,0)
39.11	2.3030	2.0	(4,-1,-3,0)
39.83	2.2632	2.9	(3,-1,-2,3)
39.83	2.2632	2.9	(2,-3,1,3)
40.23	2.2419	10.1	(4,-1,-3,1)
41.39	2.1816	3.0	(2,-1,-1,4)
41.96	2.1532	1.2	(4,-2,-2,2)
47.05	1.9312	3.9	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

-0.26283

eV/atom

Energy/atom

-22.99944

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.9994

eV/atom

Volume/atom

27.87

Å³

c/a Ratio

1.0221

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

3.3774

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004330

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.714

Element Family

4d-TM

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9075

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5447

J/mol·K

Ω Parameter

0.4748

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.676%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3282

smaller = more stable mixing

VEC

5.179

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.287

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6546

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoeg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296286

Reference Citation

The crystal structure and related material properties of Y20Cd3Ag3Os2 were obtained from the Materials Project database (MP-ID: mp-3296286, 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_Y20Cd3Ag3Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58811934
_cell_length_b   9.58811859
_cell_length_c   9.79992429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y20Cd3Ag3Os2
_chemical_formula_sum   'Y20 Cd3 Ag3 Os2'
_cell_volume   780.22557786
_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
  Y  Y0  1  0.00000000  0.00000000  0.47349820  1.0
  Y  Y1  1  0.00000000  0.00000000  0.02650180  1.0
  Y  Y2  1  0.20998713  0.79001287  0.44067160  1.0
  Y  Y3  1  0.20998713  0.41997526  0.44067160  1.0
  Y  Y4  1  0.58002474  0.79001287  0.44067160  1.0
  Y  Y5  1  0.79088543  0.20911457  0.55970333  1.0
  Y  Y6  1  0.79088543  0.58177086  0.55970333  1.0
  Y  Y7  1  0.41822914  0.20911457  0.55970333  1.0
  Y  Y8  1  0.79088543  0.20911457  0.94029667  1.0
  Y  Y9  1  0.79088543  0.58177086  0.94029667  1.0
  Y  Y10  1  0.41822914  0.20911457  0.94029667  1.0
  Y  Y11  1  0.20998713  0.79001287  0.05932840  1.0
  Y  Y12  1  0.20998713  0.41997526  0.05932840  1.0
  Y  Y13  1  0.58002474  0.79001287  0.05932840  1.0
  Y  Y14  1  0.53950414  0.46049586  0.25000000  1.0
  Y  Y15  1  0.53950414  0.07900727  0.25000000  1.0
  Y  Y16  1  0.92099273  0.46049586  0.25000000  1.0
  Y  Y17  1  0.45985349  0.54014651  0.75000000  1.0
  Y  Y18  1  0.45985349  0.91970497  0.75000000  1.0
  Y  Y19  1  0.08029503  0.54014651  0.75000000  1.0
  Cd  Cd20  1  0.10957455  0.89042545  0.75000000  1.0
  Cd  Cd21  1  0.10957455  0.21914710  0.75000000  1.0
  Cd  Cd22  1  0.78085290  0.89042545  0.75000000  1.0
  Ag  Ag23  1  0.87720320  0.12279680  0.25000000  1.0
  Ag  Ag24  1  0.87720320  0.75440740  0.25000000  1.0
  Ag  Ag25  1  0.24559260  0.12279680  0.25000000  1.0
  Os  Os26  1  0.33333300  0.66666700  0.25000000  1.0
  Os  Os27  1  0.66666700  0.33333300  0.75000000  1.0

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