Basic Information
Formula
Eu2Ir2O7
MP-ID
mp-641683
Elements
3
Sites
22
Density
9.6284
g/cm³
Volume
276.06
ų
Cell a
7.3083
Å
Cell b
7.3085
Å
Cell c
7.3077
Å
α Angle
60.01
°
β Angle
60.01
°
γ Angle
60.01
°
Space Group
Fd-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 14.84 | 5.9683 | 2.4 | (0,1,0) |
| 14.84 | 5.9680 | 2.4 | (1,0,0) |
| 14.85 | 5.9674 | 2.4 | (0,0,1) |
| 14.85 | 5.9666 | 2.3 | (1,1,1) |
| 29.94 | 2.9841 | 100.0 | (0,2,0) |
| 29.94 | 2.9840 | 100.0 | (2,0,0) |
| 29.95 | 2.9837 | 100.0 | (0,0,2) |
| 29.95 | 2.9833 | 100.0 | (2,2,2) |
| 34.72 | 2.5840 | 50.0 | (2,2,0) |
| 34.72 | 2.5840 | 50.0 | (0,2,2) |
| 34.72 | 2.5840 | 50.0 | (2,0,2) |
| 49.90 | 1.8275 | 29.5 | (2,-2,0) |
| 49.91 | 1.8273 | 29.5 | (0,2,-2) |
| 49.91 | 1.8273 | 29.5 | (2,0,-2) |
| 49.91 | 1.8271 | 29.5 | (2,4,2) |
| 49.91 | 1.8271 | 29.5 | (4,2,2) |
| 49.92 | 1.8269 | 29.5 | (2,2,4) |
| 59.30 | 1.5584 | 14.6 | (2,-2,2) |
| 59.30 | 1.5584 | 14.6 | (2,-2,-2) |
| 59.30 | 1.5583 | 14.7 | (0,4,2) |
| 59.30 | 1.5583 | 14.7 | (4,0,2) |
| 59.30 | 1.5583 | 14.7 | (2,4,0) |
| 59.30 | 1.5583 | 14.6 | (2,2,-2) |
| 59.30 | 1.5583 | 14.7 | (4,2,0) |
Energy Properties
Formation Energy/atom
-2.21392
eV/atom
Energy/atom
-8.84017
eV/atom
Energy above Hull
0.0398
eV/atom
Uncorrected Energy
-22.2916
eV/atom
Volume/atom
12.55
ų
c/a Ratio
0.9999
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.8225
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.046450
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.636
Element Family
Metalloid-Nonmetal
Solute Fraction
0.364
Interstitial Fraction
0.000
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
52.361%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8897
smaller = more stable mixing
VEC
5.455
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
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641683
Reference Citation
The crystal structure and related material properties of Eu2Ir2O7 were obtained from the Materials Project database (MP-ID: mp-641683, 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_Eu2Ir2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30825377
_cell_length_b 7.30847320
_cell_length_c 7.30765564
_cell_angle_alpha 60.01043174
_cell_angle_beta 60.00950167
_cell_angle_gamma 60.01294433
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2Ir2O7
_chemical_formula_sum 'Eu4 Ir4 O14'
_cell_volume 276.06493242
_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 0.62500077 0.62499712 0.62499985 1.0
Eu Eu1 1 0.12500010 0.62500039 0.62500009 1.0
Eu Eu2 1 0.62499958 0.12500021 0.62499877 1.0
Eu Eu3 1 0.62500035 0.62499936 0.12500019 1.0
Ir Ir4 1 0.62499973 0.12499923 0.12499916 1.0
Ir Ir5 1 0.12500301 0.12499905 0.12499883 1.0
Ir Ir6 1 0.12500120 0.12499915 0.62499796 1.0
Ir Ir7 1 0.12500018 0.62499799 0.12499889 1.0
O O8 1 0.49950420 0.49956459 0.49943139 1.0
O O9 1 0.20378972 0.79634879 0.20360595 1.0
O O10 1 0.04620942 0.45365486 0.04639418 1.0
O O11 1 0.20369298 0.20370991 0.79631577 1.0
O O12 1 0.79582974 0.79580609 0.20416837 1.0
O O13 1 0.04571051 0.45418057 0.45423233 1.0
O O14 1 0.45363186 0.04620842 0.04641776 1.0
O O15 1 0.79636847 0.20379175 0.20358341 1.0
O O16 1 0.45416870 0.45419719 0.04583267 1.0
O O17 1 0.20428746 0.79582267 0.79576718 1.0
O O18 1 0.75049759 0.75043436 0.75056745 1.0
O O19 1 0.45416005 0.04571197 0.45423695 1.0
O O20 1 0.04630749 0.04629097 0.45368471 1.0
O O21 1 0.79583889 0.20428935 0.79576414 1.0
