Dy5Y(Si3Os2)2

High-Entropy Materials HEA

MP-ID: mp-3296610 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy5Y(Si3Os2)2

MP-ID

mp-3296610

Elements

Sites

Density

9.9337

g/cm³

Volume

306.05

Å³

Cell a

5.7438

Cell b

5.7438

Cell c

13.6752

α Angle

90.00

β Angle

90.00

γ Angle

137.28

Space Group

Amm2

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
6.46	13.6752	11.5	(0,0,1)
12.95	6.8376	40.4	(0,0,2)
16.57	5.3493	51.1	(1,-1,0)
17.80	4.9817	1.1	(1,-1,1)
19.47	4.5584	1.1	(0,0,3)
21.09	4.2132	18.0	(1,-1,2)
22.82	3.8964	35.1	(1,0,0)
22.82	3.8963	35.1	(0,1,0)
25.68	3.4696	12.7	(1,-1,3)
26.06	3.4188	40.4	(0,0,4)
26.33	3.3853	35.0	(1,0,2)
30.17	2.9618	52.2	(1,0,3)
30.17	2.9618	52.2	(0,1,3)
31.04	2.8807	2.8	(1,-1,4)
33.50	2.6747	1.5	(2,-2,0)
33.67	2.6621	88.9	(2,-1,1)
33.67	2.6621	88.9	(1,-2,1)
34.16	2.6249	61.9	(2,-2,1)
34.91	2.5698	82.5	(1,0,4)
34.91	2.5698	82.5	(0,1,4)
35.59	2.5226	21.7	(2,-1,2)
35.59	2.5226	21.7	(1,-2,2)
36.06	2.4909	12.4	(2,-2,2)
36.91	2.4352	50.1	(1,-1,5)

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Energy Properties

Formation Energy/atom

-0.86624

eV/atom

Energy/atom

-28.66662

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.6666

eV/atom

Volume/atom

19.13

Å³

c/a Ratio

2.3809

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0041

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.375

Element Family

Metalloid-Nonmetal

Solute Fraction

0.625

Interstitial Fraction

0.375

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2512

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.4021

J/mol·K

Ω Parameter

2.8590

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.094%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4044

smaller = more stable mixing

VEC

6.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.628

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9025

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoqs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296610

Reference Citation

The crystal structure and related material properties of Dy5Y(Si3Os2)2 were obtained from the Materials Project database (MP-ID: mp-3296610, 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_Dy5Y(Si3Os2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74375407
_cell_length_b   5.74375274
_cell_length_c   13.67523650
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.28420577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Y(Si3Os2)2
_chemical_formula_sum   'Dy5 Y1 Si6 Os4'
_cell_volume   306.04696589
_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  0.57742460  0.42257540  0.61498493  1.0
  Dy  Dy1  1  0.42244612  0.57755388  0.38541893  1.0
  Dy  Dy2  1  0.42244612  0.57755388  0.11458107  1.0
  Dy  Dy3  1  0.57742460  0.42257540  0.88501507  1.0
  Dy  Dy4  1  0.85934072  0.14065928  0.75000000  1.0
  Y  Y5  1  0.14028104  0.85971896  0.25000000  1.0
  Si  Si6  1  0.88072030  0.11927970  0.53834178  1.0
  Si  Si7  1  0.11933451  0.88066549  0.46197717  1.0
  Si  Si8  1  0.11933451  0.88066549  0.03802283  1.0
  Si  Si9  1  0.88072030  0.11927970  0.96165822  1.0
  Si  Si10  1  0.82455823  0.17544177  0.25000000  1.0
  Si  Si11  1  0.17580348  0.82419652  0.75000000  1.0
  Os  Os12  1  0.28705588  0.71294412  0.91810031  1.0
  Os  Os13  1  0.71302685  0.28697315  0.08156764  1.0
  Os  Os14  1  0.71302685  0.28697315  0.41843236  1.0
  Os  Os15  1  0.28705588  0.71294412  0.58189969  1.0

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