Dy2PaOs2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249623 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy2PaOs2

MP-ID

mp-3249623

Elements

Sites

Density

13.6842

g/cm³

Volume

113.64

Å³

Cell a

5.8566

Cell b

5.8566

Cell c

5.8566

α Angle

137.10

β Angle

121.58

γ Angle

75.15

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
18.23	4.8674	9.0	(1,0,0)
19.12	4.6416	72.8	(1,1,-1)
31.30	2.8580	6.4	(1,-1,1)
32.47	2.7573	47.3	(2,0,-1)
32.47	2.7573	94.5	(1,1,-2)
32.47	2.7573	47.3	(1,1,0)
32.91	2.7213	66.8	(2,1,-1)
35.80	2.5083	22.4	(2,1,-2)
35.80	2.5083	22.5	(1,2,-1)
36.94	2.4337	37.8	(2,0,0)
38.80	2.3208	50.5	(2,2,-2)
39.11	2.3030	50.0	(2,-1,0)
39.11	2.3030	50.0	(1,-2,1)
39.11	2.3030	100.0	(0,1,-2)
42.20	2.1416	71.6	(1,-1,-1)
46.71	1.9446	7.6	(2,0,-2)
46.71	1.9446	7.6	(0,2,0)
47.30	1.9218	2.0	(3,1,-2)
47.30	1.9218	2.0	(2,2,-3)
47.30	1.9218	2.0	(1,3,-2)
47.30	1.9218	2.0	(2,2,-1)
48.27	1.8852	6.2	(3,0,-1)
48.27	1.8852	12.4	(1,2,-3)
48.27	1.8852	6.2	(2,1,0)

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Energy Properties

Formation Energy/atom

-0.47162

eV/atom

Energy/atom

-49.82964

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-49.8296

eV/atom

Volume/atom

22.73

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.809%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4462

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.400

Related Tasks

Related computation task IDs (1)

aaahcxdn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249623

Reference Citation

The crystal structure and related material properties of Dy2PaOs2 were obtained from the Materials Project database (MP-ID: mp-3249623, 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_Dy2PaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85658031
_cell_length_b   5.85657825
_cell_length_c   5.85657926
_cell_angle_alpha   137.10178569
_cell_angle_beta   121.58146348
_cell_angle_gamma   75.15090587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2PaOs2
_chemical_formula_sum   'Dy2 Pa1 Os2'
_cell_volume   113.64090994
_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  0.69861283  0.19861383  0.49999900  1.0
  Dy  Dy1  1  0.30138617  0.80138717  0.50000100  1.0
  Pa  Pa2  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os3  1  0.73207749  0.50000000  0.23207749  1.0
  Os  Os4  1  0.26792151  0.50000100  0.76792251  1.0

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