EuCrO3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-754941 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

EuCrO3

MP-ID

mp-754941

Elements

Sites

Density

7.1649

g/cm³

Volume

58.39

Å³

Cell a

3.8796

Cell b

3.8796

Cell c

3.8796

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 11)

2θ	d (Å)	I	hkl
22.92	3.8796	20.5	(1,0,0)
32.64	2.7433	100.0	(1,1,0)
40.26	2.2399	22.6	(1,1,1)
46.83	1.9398	31.4	(2,0,0)
52.76	1.7350	10.9	(2,1,0)
58.25	1.5839	37.7	(2,1,1)
68.39	1.3717	18.5	(2,2,0)
73.19	1.2932	5.8	(2,2,1)
77.86	1.2268	16.2	(3,1,0)
82.45	1.1698	7.7	(3,1,1)
87.00	1.1200	6.3	(2,2,2)

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Energy Properties

Formation Energy/atom

-2.71808

eV/atom

Energy/atom

-9.67509

eV/atom

Energy above Hull

0.1878

eV/atom

Uncorrected Energy

-8.8631

eV/atom

Volume/atom

11.68

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.9967

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.154070

μB/Å³

Elastic Properties

Elastic data not available

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

51.313%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9954

smaller = more stable mixing

VEC

5.000

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

0.409

Family

O-rich Multi-Component

Matrix Element

O · 0.600

Related Tasks

Related computation task IDs (5)

aaacjfrb aaadwlgg aaadxyzt aaaetfvw aaafizsy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-754941

Reference Citation

The crystal structure and related material properties of EuCrO3 were obtained from the Materials Project database (MP-ID: mp-754941, 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_EuCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87961900
_cell_length_b   3.87961900
_cell_length_c   3.87961900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuCrO3
_chemical_formula_sum   'Eu1 Cr1 O3'
_cell_volume   58.39386651
_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  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.50000000  0.00000000  0.00000000  1.0
  O  O3  1  0.00000000  0.50000000  0.00000000  1.0
  O  O4  1  0.00000000  0.00000000  0.50000000  1.0

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