Eu2O3
传统材料 TRAMP-ID: mp-1017564 · Space group: P-3m1 (#164)
Basic Information
Formula
Eu2O3
MP-ID
mp-1017564
Elements
2
Sites
5
Density
8.0778
g/cm³
Volume
72.34
ų
Cell a
3.7883
Å
Cell b
3.7883
Å
Cell c
5.8208
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 27.18 | 3.2808 | 35.8 | (0,1,-1,0) |
| 27.18 | 3.2808 | 35.8 | (1,0,-1,0) |
| 27.18 | 3.2808 | 35.8 | (1,-1,0,0) |
| 30.72 | 2.9104 | 100.0 | (0,0,0,2) |
| 31.30 | 2.8581 | 72.6 | (0,1,-1,1) |
| 31.30 | 2.8581 | 51.9 | (1,0,-1,1) |
| 31.30 | 2.8581 | 51.9 | (0,1,-1,-1) |
| 31.30 | 2.8581 | 72.6 | (1,0,-1,-1) |
| 31.30 | 2.8581 | 51.9 | (1,-1,0,-1) |
| 31.30 | 2.8581 | 72.6 | (1,-1,0,1) |
| 41.48 | 2.1772 | 25.0 | (0,1,-1,2) |
| 41.48 | 2.1772 | 7.4 | (1,0,-1,2) |
| 41.48 | 2.1772 | 7.4 | (1,-1,0,-2) |
| 41.48 | 2.1772 | 25.0 | (1,0,-1,-2) |
| 41.48 | 2.1772 | 7.4 | (0,1,-1,-2) |
| 41.48 | 2.1772 | 25.0 | (1,-1,0,2) |
| 48.03 | 1.8942 | 39.8 | (1,1,-2,0) |
| 48.03 | 1.8942 | 39.8 | (1,-2,1,0) |
| 48.03 | 1.8942 | 39.8 | (2,-1,-1,0) |
| 54.98 | 1.6701 | 13.2 | (0,1,-1,3) |
| 54.98 | 1.6701 | 18.4 | (1,0,-1,3) |
| 54.98 | 1.6701 | 18.4 | (1,-1,0,-3) |
| 54.98 | 1.6701 | 13.2 | (1,0,-1,-3) |
| 54.98 | 1.6701 | 18.4 | (0,1,-1,-3) |
Energy Properties
Formation Energy/atom
-3.44517
eV/atom
Energy/atom
-10.52919
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.0142
eV/atom
Volume/atom
14.47
ų
c/a Ratio
1.5365
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.165870
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.587
Family
Binary Alloy
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017564
Reference Citation
The crystal structure and related material properties of Eu2O3 were obtained from the Materials Project database (MP-ID: mp-1017564, 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_Eu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78829582
_cell_length_b 3.78830376
_cell_length_c 5.82083711
_cell_angle_alpha 89.99975266
_cell_angle_beta 90.00003304
_cell_angle_gamma 119.99971530
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2O3
_chemical_formula_sum 'Eu2 O3'
_cell_volume 72.34458065
_cell_formula_units_Z 1
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 0.66666372 0.33333110 0.75755591 1.0
Eu Eu1 1 0.33333628 0.66666890 0.24244409 1.0
O O2 1 -0.00000000 0.00000000 0.00000000 1.0
O O3 1 0.66666938 0.33333417 0.34889643 1.0
O O4 1 0.33333062 0.66666583 0.65110357 1.0
