Eu2NbZnO6

High-Entropy Materials HEA

MP-ID: mp-3296438 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Eu2NbZnO6

MP-ID

mp-3296438

Elements

Sites

Density

7.3550

g/cm³

Volume

252.07

Å³

Cell a

5.5643

Cell b

5.7307

Cell c

9.6918

α Angle

90.00

β Angle

125.35

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
19.13	4.6398	2.2	(0,1,1)
19.56	4.5385	2.0	(1,0,0)
22.27	3.9921	12.1	(1,1,-1)
22.50	3.9525	8.1	(0,0,2)
24.95	3.5691	9.6	(1,1,-2)
25.03	3.5579	9.5	(1,1,0)
31.22	2.8654	43.9	(0,2,0)
31.80	2.8142	100.0	(1,1,-3)
31.93	2.8032	99.6	(1,1,1)
32.17	2.7821	50.1	(2,0,-2)
33.26	2.6939	13.0	(0,2,1)
37.65	2.3894	3.2	(2,1,-3)
37.86	2.3765	1.1	(1,0,2)
38.82	2.3199	7.4	(0,2,2)
39.51	2.2809	5.8	(2,0,-4)
39.72	2.2692	5.6	(2,0,0)
40.97	2.2031	3.7	(1,1,-4)
41.12	2.1952	3.9	(1,1,2)
45.44	1.9960	43.8	(2,2,-2)
45.92	1.9762	27.6	(0,0,4)
46.84	1.9396	7.6	(0,2,3)
46.90	1.9371	6.7	(2,2,-3)
47.00	1.9335	6.5	(2,2,-1)
51.52	1.7739	1.6	(1,1,-5)

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Energy Properties

Formation Energy/atom

-2.87403

eV/atom

Energy/atom

-17.52619

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.5262

eV/atom

Volume/atom

12.60

Å³

c/a Ratio

1.7418

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

26.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.103150

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

1.0889

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0531

J/mol·K

Ω Parameter

211.9649

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.743%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0024

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.025

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7855

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfokc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296438

Reference Citation

The crystal structure and related material properties of Eu2NbZnO6 were obtained from the Materials Project database (MP-ID: mp-3296438, 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_Eu2NbZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56432020
_cell_length_b   5.73071748
_cell_length_c   9.69175580
_cell_angle_alpha   90.00000000
_cell_angle_beta   125.34994260
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2NbZnO6
_chemical_formula_sum   'Eu4 Nb2 Zn2 O12'
_cell_volume   252.06855649
_cell_formula_units_Z   2
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  0.24136415  0.44827803  0.75176824  1.0
  Eu  Eu1  1  0.24136415  0.05172197  0.25176824  1.0
  Eu  Eu2  1  0.75863585  0.55172197  0.24823176  1.0
  Eu  Eu3  1  0.75863585  0.94827803  0.74823176  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.00000000  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn6  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.33691516  0.02952642  0.74519707  1.0
  O  O9  1  0.33691516  0.47047358  0.24519707  1.0
  O  O10  1  0.66308484  0.97047358  0.25480293  1.0
  O  O11  1  0.66308484  0.52952642  0.75480293  1.0
  O  O12  1  0.75220128  0.19454191  0.54504282  1.0
  O  O13  1  0.75220128  0.30545809  0.04504282  1.0
  O  O14  1  0.24779872  0.80545809  0.45495718  1.0
  O  O15  1  0.24779872  0.69454191  0.95495718  1.0
  O  O16  1  0.14300326  0.21022098  0.95024744  1.0
  O  O17  1  0.14300326  0.28977902  0.45024744  1.0
  O  O18  1  0.85699674  0.78977902  0.04975256  1.0
  O  O19  1  0.85699674  0.71022098  0.54975256  1.0

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