Ce(DyOs)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249730 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ce(DyOs)2

MP-ID

mp-3249730

Elements

Sites

Density

12.4426

g/cm³

Volume

112.85

Å³

Cell a

5.7782

Cell b

5.7782

Cell c

5.7782

α Angle

136.45

β Angle

119.14

γ Angle

77.77

Space Group

Immm

Point Group

mmm

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
19.74	4.4977	51.8	(1,1,-1)
22.98	3.8699	7.6	(1,0,-1)
22.98	3.8699	7.6	(0,1,0)
25.76	3.4584	6.8	(0,0,1)
25.76	3.4584	6.8	(1,-1,0)
30.55	2.9264	2.5	(1,-1,1)
32.66	2.7416	39.5	(1,1,-2)
32.66	2.7416	79.0	(2,0,-1)
32.66	2.7416	39.5	(0,2,-1)
33.58	2.6686	53.3	(2,1,-1)
36.57	2.4571	40.6	(2,1,-2)
36.57	2.4571	40.6	(1,2,-1)
36.64	2.4529	67.6	(2,0,0)
38.57	2.3342	100.0	(0,1,-2)
38.57	2.3342	100.0	(2,-1,0)
40.10	2.2488	39.1	(2,2,-2)
42.16	2.1434	72.9	(1,-1,-1)
46.96	1.9349	5.5	(2,0,-2)
46.96	1.9349	5.5	(0,2,0)
47.70	1.9066	4.3	(2,-1,1)
48.27	1.8853	1.2	(2,2,-3)
48.27	1.8853	1.2	(3,1,-2)
48.27	1.8853	1.2	(2,2,-1)
48.27	1.8853	1.2	(1,3,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.34636

eV/atom

Energy/atom

-40.50130

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.5013

eV/atom

Volume/atom

22.57

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.3882

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.379%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4978

smaller = more stable mixing

VEC

7.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.109

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.400

Related Tasks

Related computation task IDs (1)

aaahcxhq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249730

Reference Citation

The crystal structure and related material properties of Ce(DyOs)2 were obtained from the Materials Project database (MP-ID: mp-3249730, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ce(DyOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77815966
_cell_length_b   5.77815816
_cell_length_c   5.77816063
_cell_angle_alpha   136.45105456
_cell_angle_beta   119.14377863
_cell_angle_gamma   77.77278541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(DyOs)2
_chemical_formula_sum   'Ce1 Dy2 Os2'
_cell_volume   112.84693052
_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
  Ce  Ce0  1  0.00000000  0.00000000  0.00000000  1.0
  Dy  Dy1  1  0.69450271  0.19450271  0.50000000  1.0
  Dy  Dy2  1  0.30549829  0.80549729  0.50000000  1.0
  Os  Os3  1  0.72951302  0.50000000  0.22951302  1.0
  Os  Os4  1  0.27048698  0.50000000  0.77048698  1.0

Get direct link