NaEuO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-780415 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

NaEuO2

MP-ID

mp-780415

Elements

Sites

Density

5.7617

g/cm³

Volume

59.64

Å³

Cell a

5.9203

Cell b

5.9203

Cell c

5.9203

α Angle

34.58

β Angle

34.58

γ Angle

34.58

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

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
15.94	5.5607	100.0	(1,1,1)
29.80	2.9982	59.8	(1,0,0)
31.25	2.8627	68.7	(1,1,0)
32.20	2.7804	21.9	(2,2,2)
36.52	2.4607	96.7	(2,1,1)
40.07	2.2503	24.0	(2,2,1)
48.49	1.8774	13.1	(3,2,2)
48.49	1.8774	6.6	(2,2,3)
49.15	1.8536	4.0	(3,3,3)
51.97	1.7596	33.6	(1,0,-1)
53.22	1.7210	30.0	(3,3,2)
54.71	1.6777	16.5	(2,1,0)
54.71	1.6777	8.3	(1,0,2)
61.06	1.5176	5.4	(1,-1,1)
61.06	1.5176	2.7	(1,1,-1)
61.90	1.4991	10.6	(2,0,0)
62.46	1.4869	14.1	(3,2,1)
62.46	1.4869	7.0	(2,1,3)
63.58	1.4634	10.4	(4,3,3)
65.18	1.4313	5.4	(2,2,0)
65.18	1.4313	10.8	(2,0,2)
67.36	1.3902	4.6	(4,4,4)
67.58	1.3862	5.5	(3,1,1)
69.19	1.3578	2.4	(4,4,3)

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Energy Properties

Formation Energy/atom

-2.60259

eV/atom

Energy/atom

-7.98403

eV/atom

Energy above Hull

0.0853

eV/atom

Uncorrected Energy

-7.6405

eV/atom

Volume/atom

14.91

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0037

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.100660

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.121%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1913

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.372

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadobpy aaadupxf aaadydto aaaesdim aaafslue

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-780415

Reference Citation

The crystal structure and related material properties of NaEuO2 were obtained from the Materials Project database (MP-ID: mp-780415, 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…

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Raw CIF Data

# generated using pymatgen
data_NaEuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92029428
_cell_length_b   5.92029428
_cell_length_c   5.92029403
_cell_angle_alpha   34.58169865
_cell_angle_beta   34.58169865
_cell_angle_gamma   34.58169882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaEuO2
_chemical_formula_sum   'Na1 Eu1 O2'
_cell_volume   59.64443856
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.75998700  0.75998700  0.75998700  1.0
  O  O3  1  0.24001300  0.24001300  0.24001300  1.0

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