Eu2O3
传统材料 TRAMP-ID: mp-647924 · Space group: C2/m (#12)
Basic Information
Formula
Eu2O3
MP-ID
mp-647924
Elements
2
Sites
15
Density
7.8275
g/cm³
Volume
223.97
ų
Cell a
3.6312
Å
Cell b
7.3136
Å
Cell c
8.8420
Å
α Angle
99.74
°
β Angle
90.00
°
γ Angle
104.37
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 14.82 | 5.9769 | 5.3 | (0,1,-1) |
| 17.63 | 5.0320 | 1.9 | (0,1,1) |
| 22.10 | 4.0219 | 4.7 | (0,1,-2) |
| 25.95 | 3.4336 | 15.8 | (0,1,2) |
| 27.79 | 3.2101 | 89.1 | (1,-1,-1) |
| 29.20 | 3.0586 | 88.1 | (0,2,1) |
| 29.90 | 2.9885 | 93.9 | (0,2,-2) |
| 30.81 | 2.9021 | 61.2 | (0,0,3) |
| 31.25 | 2.8626 | 1.9 | (0,1,-3) |
| 31.25 | 2.8621 | 97.7 | (1,-2,0) |
| 32.02 | 2.7951 | 100.0 | (1,-1,2) |
| 33.47 | 2.6774 | 2.1 | (1,-1,-2) |
| 35.52 | 2.5275 | 2.6 | (0,1,3) |
| 38.72 | 2.3253 | 15.4 | (0,3,0) |
| 39.39 | 2.2876 | 6.6 | (1,-1,3) |
| 40.66 | 2.2190 | 8.9 | (1,-3,1) |
| 40.66 | 2.2190 | 8.9 | (1,2,-1) |
| 40.67 | 2.2183 | 1.9 | (0,3,-2) |
| 41.20 | 2.1909 | 2.7 | (1,-1,-3) |
| 41.20 | 2.1909 | 2.7 | (1,0,3) |
| 41.88 | 2.1570 | 54.0 | (1,-2,3) |
| 41.93 | 2.1547 | 3.5 | (0,3,1) |
| 43.93 | 2.0609 | 1.2 | (0,2,3) |
| 45.53 | 1.9923 | 1.4 | (0,3,-3) |
Energy Properties
Formation Energy/atom
-3.43347
eV/atom
Energy/atom
-10.51749
eV/atom
Energy above Hull
0.0117
eV/atom
Uncorrected Energy
-22.0025
eV/atom
Volume/atom
14.93
ų
c/a Ratio
2.4350
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
36.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.160730
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
0.579
Family
Binary Alloy
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-647924
Reference Citation
The crystal structure and related material properties of Eu2O3 were obtained from the Materials Project database (MP-ID: mp-647924, 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 3.63121715
_cell_length_b 7.31362971
_cell_length_c 8.84197454
_cell_angle_alpha 99.73824516
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.37398449
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2O3
_chemical_formula_sum 'Eu6 O9'
_cell_volume 223.97426963
_cell_formula_units_Z 3
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 0.30992401 0.61984802 0.86251144 1.0
Eu Eu1 1 0.36393187 0.72786373 0.51057947 1.0
Eu Eu2 1 0.03163986 0.06327872 0.81539156 1.0
Eu Eu3 1 0.69007599 0.38015198 0.13748856 1.0
Eu Eu4 1 0.96836014 0.93672128 0.18460844 1.0
Eu Eu5 1 0.63606813 0.27213627 0.48942053 1.0
O O6 1 0.79050731 0.58101562 0.37531834 1.0
O O7 1 0.20949269 0.41898438 0.62468166 1.0
O O8 1 0.87492200 0.74984400 0.71251485 1.0
O O9 1 0.50000000 -0.00000000 0.00000000 1.0
O O10 1 0.52866047 0.05732095 0.65764191 1.0
O O11 1 0.47133953 0.94267905 0.34235809 1.0
O O12 1 0.12507800 0.25015600 0.28748515 1.0
O O13 1 0.82670600 0.65341201 0.03071038 1.0
O O14 1 0.17329400 0.34658799 0.96928962 1.0
