Eu2Zr2O7
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-675041 · Space group: Pmma (#51)
Basic Information
Formula
Eu2Zr2O7
MP-ID
mp-675041
Elements
3
Sites
22
Density
6.6584
g/cm³
Volume
298.46
ų
Cell a
3.6895
Å
Cell b
7.5034
Å
Cell c
10.7808
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.38 | 6.1586 | 3.4 | (0,1,1) |
| 20.28 | 4.3778 | 1.8 | (0,1,2) |
| 24.78 | 3.5936 | 5.9 | (0,0,3) |
| 25.13 | 3.5433 | 5.4 | (0,2,1) |
| 25.52 | 3.4908 | 3.3 | (1,0,1) |
| 27.52 | 3.2411 | 1.3 | (0,1,3) |
| 28.20 | 3.1650 | 4.9 | (1,1,1) |
| 29.00 | 3.0793 | 100.0 | (0,2,2) |
| 29.33 | 3.0446 | 98.7 | (1,0,2) |
| 33.24 | 2.6952 | 18.4 | (0,0,4) |
| 34.08 | 2.6306 | 39.8 | (1,2,0) |
| 35.11 | 2.5556 | 1.2 | (1,2,1) |
| 39.73 | 2.2688 | 1.2 | (0,3,2) |
| 42.59 | 2.1227 | 5.7 | (1,2,3) |
| 43.29 | 2.0902 | 1.9 | (1,1,4) |
| 44.57 | 2.0331 | 1.3 | (1,3,1) |
| 48.35 | 1.8825 | 65.1 | (1,2,4) |
| 48.53 | 1.8759 | 17.4 | (0,4,0) |
| 48.71 | 1.8694 | 3.5 | (0,2,5) |
| 48.93 | 1.8616 | 3.3 | (1,0,5) |
| 49.40 | 1.8448 | 17.1 | (2,0,0) |
| 55.24 | 1.6629 | 1.4 | (0,4,3) |
| 56.04 | 1.6412 | 1.3 | (2,0,3) |
| 56.22 | 1.6363 | 1.2 | (2,2,1) |
Energy Properties
Formation Energy/atom
-3.37068
eV/atom
Energy/atom
-9.94407
eV/atom
Energy above Hull
0.2755
eV/atom
Uncorrected Energy
-9.5069
eV/atom
Volume/atom
13.57
ų
c/a Ratio
2.9220
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
24.0047
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.080430
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.636
Element Family
Metalloid-Nonmetal
Solute Fraction
0.364
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9075
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5452
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.148%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0470
smaller = more stable mixing
VEC
4.545
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8261
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.378
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-675041
Reference Citation
The crystal structure and related material properties of Eu2Zr2O7 were obtained from the Materials Project database (MP-ID: mp-675041, 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_Eu2Zr2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68951700
_cell_length_b 7.50339600
_cell_length_c 10.78081900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2Zr2O7
_chemical_formula_sum 'Eu4 Zr4 O14'
_cell_volume 298.45519166
_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 0.50000000 0.50000000 0.50000000 1.0
Eu Eu1 1 0.00000000 0.75000000 0.22643800 1.0
Eu Eu2 1 0.50000000 0.00000000 0.50000000 1.0
Eu Eu3 1 0.00000000 0.25000000 0.77356200 1.0
Zr Zr4 1 0.00000000 0.25000000 0.24278200 1.0
Zr Zr5 1 0.00000000 0.75000000 0.75721800 1.0
Zr Zr6 1 0.50000000 0.50000000 0.00000000 1.0
Zr Zr7 1 0.50000000 0.00000000 0.00000000 1.0
O O8 1 0.00000000 0.47282000 0.63414400 1.0
O O9 1 0.50000000 0.75000000 0.86457100 1.0
O O10 1 0.50000000 0.25000000 0.89482300 1.0
O O11 1 0.00000000 0.02260600 0.11529100 1.0
O O12 1 0.00000000 0.47739400 0.11529100 1.0
O O13 1 0.00000000 0.52260600 0.88470900 1.0
O O14 1 0.50000000 0.25000000 0.37644300 1.0
O O15 1 0.50000000 0.75000000 0.10517700 1.0
O O16 1 0.00000000 0.97282000 0.36585600 1.0
O O17 1 0.00000000 0.02718000 0.63414400 1.0
O O18 1 0.00000000 0.52718000 0.36585600 1.0
O O19 1 0.50000000 0.75000000 0.62355700 1.0
O O20 1 0.00000000 0.97739400 0.88470900 1.0
O O21 1 0.50000000 0.25000000 0.13542900 1.0
