EuO3
Traditional Materials TRAMP-ID: mp-1184436 · Space group: P6_3/mmc (#194)
Basic Information
Formula
EuO3
MP-ID
mp-1184436
Elements
2
Sites
8
Density
6.7772
g/cm³
Volume
97.99
ų
Cell a
5.0174
Å
Cell b
5.0174
Å
Cell c
4.4945
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 |
|---|---|---|---|
| 20.44 | 4.3452 | 16.6 | (1,-1,0,0) |
| 20.44 | 4.3452 | 33.1 | (1,0,-1,0) |
| 28.57 | 3.1240 | 100.0 | (1,0,-1,1) |
| 35.79 | 2.5087 | 42.0 | (2,-1,-1,0) |
| 40.13 | 2.2473 | 21.4 | (0,0,0,2) |
| 41.57 | 2.1726 | 4.7 | (2,-2,0,0) |
| 41.57 | 2.1726 | 9.4 | (2,0,-2,0) |
| 45.44 | 1.9961 | 12.6 | (1,0,-1,2) |
| 46.42 | 1.9561 | 20.0 | (2,-2,0,1) |
| 46.42 | 1.9561 | 39.9 | (2,0,-2,1) |
| 54.85 | 1.6739 | 16.9 | (2,-1,-1,2) |
| 54.85 | 1.6739 | 8.4 | (1,1,-2,2) |
| 55.99 | 1.6423 | 1.4 | (3,-2,-1,0) |
| 55.99 | 1.6423 | 2.8 | (3,-1,-2,0) |
| 59.15 | 1.5620 | 9.3 | (2,0,-2,2) |
| 59.97 | 1.5426 | 31.9 | (3,-1,-2,1) |
| 64.32 | 1.4484 | 2.5 | (3,-3,0,0) |
| 64.32 | 1.4484 | 5.1 | (3,0,-3,0) |
| 65.95 | 1.4164 | 10.3 | (1,0,-1,3) |
| 71.10 | 1.3260 | 4.4 | (3,-1,-2,2) |
| 75.85 | 1.2544 | 5.4 | (4,-2,-2,0) |
| 75.85 | 1.2544 | 2.7 | (2,2,-4,0) |
| 77.37 | 1.2334 | 12.1 | (2,0,-2,3) |
| 78.58 | 1.2175 | 3.0 | (3,-3,0,2) |
Energy Properties
Formation Energy/atom
-1.57160
eV/atom
Energy/atom
-7.85460
eV/atom
Energy above Hull
0.5816
eV/atom
Uncorrected Energy
-7.3393
eV/atom
Volume/atom
12.25
ų
c/a Ratio
0.8958
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.9682
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.060910
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
O · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184436
Reference Citation
The crystal structure and related material properties of EuO3 were obtained from the Materials Project database (MP-ID: mp-1184436, 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_EuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01741848
_cell_length_b 5.01741848
_cell_length_c 4.49454300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000629
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuO3
_chemical_formula_sum 'Eu2 O6'
_cell_volume 97.98887994
_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 0.33333300 0.66666700 0.75000000 1.0
Eu Eu1 1 0.66666700 0.33333300 0.25000000 1.0
O O2 1 0.18629200 0.37258400 0.25000000 1.0
O O3 1 0.62741600 0.81370800 0.25000000 1.0
O O4 1 0.18629200 0.81370800 0.25000000 1.0
O O5 1 0.81370800 0.62741600 0.75000000 1.0
O O6 1 0.37258400 0.18629200 0.75000000 1.0
O O7 1 0.81370800 0.18629200 0.75000000 1.0
