EuAsO3

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-983564 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

EuAsO3

MP-ID

mp-983564

Elements

Sites

Density

7.1404

g/cm³

Volume

63.93

Å³

Cell a

3.9985

Cell b

3.9985

Cell c

3.9985

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
22.23	3.9985	8.1	(1,0,0)
31.65	2.8273	100.0	(1,1,0)
39.02	2.3085	12.8	(1,1,1)
45.36	1.9992	30.8	(2,0,0)
51.08	1.7882	4.3	(2,1,0)
56.36	1.6324	39.6	(2,1,1)
66.10	1.4137	18.8	(2,2,0)
70.68	1.3328	2.3	(3,0,0)
75.14	1.2644	17.3	(3,1,0)
79.50	1.2056	3.9	(3,1,1)
83.81	1.1543	6.4	(2,2,2)
88.08	1.1090	1.1	(3,2,0)

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Energy Properties

Formation Energy/atom

-2.25879

eV/atom

Energy/atom

-8.21922

eV/atom

Energy above Hull

0.2770

eV/atom

Uncorrected Energy

-7.8070

eV/atom

Volume/atom

12.79

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.6835

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.104550

μB/Å³

Elastic Properties

K_VRH

164.961

GPa

G_VRH

78.314

GPa

Young's Modulus E

202.843

GPa

Poisson Ratio ν

0.295

Pugh Ratio K/G

2.106

Vickers Hardness Est.

7.725

GPa

Ductility

Brittle

Anisotropy

0.007

Lame λ

112.752

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.391%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9116

smaller = more stable mixing

VEC

4.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.310

Family

O-rich Multi-Component

Matrix Element

O · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0070

Homogeneous Poisson ν

0.2950

Homogeneity

0.2950

Related Tasks

Related computation task IDs (5)

aaadnxbw aaadvzzr aaadxmoo aaaetfgc aaafcuvl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983564

Reference Citation

The crystal structure and related material properties of EuAsO3 were obtained from the Materials Project database (MP-ID: mp-983564, 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_EuAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99845200
_cell_length_b   3.99845200
_cell_length_c   3.99845200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAsO3
_chemical_formula_sum   'Eu1 As1 O3'
_cell_volume   63.92572475
_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
  Eu  Eu0  1  0.00000000  0.00000000  0.00000000  1.0
  As  As1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.50000000  0.50000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.50000000  0.50000000  1.0

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