NaEuGeO4

High-Entropy Materials HEA

MP-ID: mp-1019727 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

NaEuGeO4

MP-ID

mp-1019727

Elements

Sites

Density

4.9043

g/cm³

Volume

422.01

Å³

Cell a

5.3795

Cell b

6.6687

Cell c

11.7634

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

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
15.06	5.8817	29.6	(0,0,2)
18.13	4.8922	25.0	(1,0,1)
20.13	4.4111	5.3	(0,1,2)
21.22	4.1870	4.1	(1,1,0)
22.40	3.9696	2.6	(1,0,2)
22.54	3.9446	73.5	(1,1,1)
26.12	3.4110	1.0	(1,1,2)
26.74	3.3343	43.2	(0,2,0)
28.16	3.1687	24.7	(1,0,3)
30.39	2.9409	2.9	(0,0,4)
30.83	2.9007	15.6	(0,2,2)
31.25	2.8621	100.0	(1,1,3)
32.50	2.7553	29.7	(1,2,1)
33.30	2.6908	19.8	(0,1,4)
33.31	2.6898	17.5	(2,0,0)
34.20	2.6221	2.0	(2,0,1)
34.77	2.5804	1.1	(1,0,4)
36.74	2.4461	7.9	(2,0,2)
36.83	2.4402	5.8	(2,1,1)
39.22	2.2969	4.3	(1,2,3)
40.68	2.2181	1.0	(2,0,3)
40.92	2.2056	1.2	(0,2,4)
43.21	2.0935	18.1	(2,2,0)
44.16	2.0511	9.4	(1,1,5)

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Energy Properties

Formation Energy/atom

-2.54768

eV/atom

Energy/atom

-7.69692

eV/atom

Energy above Hull

0.0604

eV/atom

Uncorrected Energy

-7.3044

eV/atom

Volume/atom

15.07

Å³

c/a Ratio

2.1867

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

24.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.056870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1537

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5922

J/mol·K

Ω Parameter

1.0916

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.662%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0628

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.641

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8322

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (4)

aaadocqt aaadqxfy aaadzhzc aaaesfae

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019727

Reference Citation

The crystal structure and related material properties of NaEuGeO4 were obtained from the Materials Project database (MP-ID: mp-1019727, 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_NaEuGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37953100
_cell_length_b   6.66867900
_cell_length_c   11.76342200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaEuGeO4
_chemical_formula_sum   'Na4 Eu4 Ge4 O16'
_cell_volume   422.00529929
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.50000000  1.0
  Na  Na1  1  0.00000000  0.50000000  0.00000000  1.0
  Na  Na2  1  0.50000000  0.50000000  0.50000000  1.0
  Na  Na3  1  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu4  1  0.49859800  0.75000000  0.77758700  1.0
  Eu  Eu5  1  0.00140200  0.75000000  0.27758700  1.0
  Eu  Eu6  1  0.50140200  0.25000000  0.22241300  1.0
  Eu  Eu7  1  0.99859800  0.25000000  0.72241300  1.0
  Ge  Ge8  1  0.94211900  0.75000000  0.59505800  1.0
  Ge  Ge9  1  0.55788100  0.75000000  0.09505800  1.0
  Ge  Ge10  1  0.05788100  0.25000000  0.40494200  1.0
  Ge  Ge11  1  0.44211900  0.25000000  0.90494200  1.0
  O  O12  1  0.82004000  0.75000000  0.45540900  1.0
  O  O13  1  0.67996000  0.75000000  0.95540900  1.0
  O  O14  1  0.17996000  0.25000000  0.54459100  1.0
  O  O15  1  0.32004000  0.25000000  0.04459100  1.0
  O  O16  1  0.26656500  0.75000000  0.60648500  1.0
  O  O17  1  0.23343500  0.75000000  0.10648500  1.0
  O  O18  1  0.73343500  0.25000000  0.39351500  1.0
  O  O19  1  0.76656500  0.25000000  0.89351500  1.0
  O  O20  1  0.79091000  0.54599200  0.66903800  1.0
  O  O21  1  0.70909000  0.95400800  0.16903800  1.0
  O  O22  1  0.20909000  0.04599200  0.33096200  1.0
  O  O23  1  0.29091000  0.45400800  0.83096200  1.0
  O  O24  1  0.20909000  0.45400800  0.33096200  1.0
  O  O25  1  0.29091000  0.04599200  0.83096200  1.0
  O  O26  1  0.79091000  0.95400800  0.66903800  1.0
  O  O27  1  0.70909000  0.54599200  0.16903800  1.0

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