Basic Information
Formula
EuBrO2
MP-ID
mp-1025545
Elements
3
Sites
8
Density
5.8168
g/cm³
Volume
150.65
ų
Cell a
3.7278
Å
Cell b
6.2936
Å
Cell c
7.0397
Å
α Angle
65.81
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 13.79 | 6.4214 | 38.7 | (0,0,1) |
| 15.43 | 5.7408 | 11.1 | (0,1,0) |
| 15.94 | 5.5590 | 15.0 | (0,1,1) |
| 24.68 | 3.6078 | 28.9 | (0,1,-1) |
| 25.65 | 3.4735 | 9.1 | (0,1,2) |
| 27.67 | 3.2239 | 7.8 | (1,0,1) |
| 27.79 | 3.2107 | 27.3 | (0,0,2) |
| 28.39 | 3.1442 | 4.0 | (0,2,1) |
| 28.55 | 3.1265 | 8.7 | (1,1,0) |
| 28.84 | 3.0961 | 100.0 | (1,1,1) |
| 31.16 | 2.8704 | 34.9 | (0,2,0) |
| 32.21 | 2.7795 | 41.2 | (0,2,2) |
| 34.60 | 2.5925 | 57.5 | (1,1,-1) |
| 36.95 | 2.4327 | 39.9 | (1,0,2) |
| 37.27 | 2.4125 | 4.5 | (0,1,-2) |
| 37.42 | 2.4034 | 1.4 | (1,2,1) |
| 38.39 | 2.3446 | 26.3 | (0,1,3) |
| 39.63 | 2.2743 | 13.1 | (1,2,0) |
| 40.48 | 2.2283 | 13.3 | (1,2,2) |
| 42.22 | 2.1405 | 3.4 | (0,0,3) |
| 45.71 | 1.9847 | 3.1 | (1,1,3) |
| 46.49 | 1.9535 | 13.0 | (1,2,-1) |
| 47.51 | 1.9136 | 3.4 | (0,3,0) |
| 47.98 | 1.8959 | 4.1 | (1,2,3) |
Energy Properties
Formation Energy/atom
-1.64293
eV/atom
Energy/atom
-7.09817
eV/atom
Energy above Hull
0.5517
eV/atom
Uncorrected Energy
-6.7547
eV/atom
Volume/atom
18.83
ų
c/a Ratio
1.8884
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.9935
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.053060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
48.911%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9217
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025545
Reference Citation
The crystal structure and related material properties of EuBrO2 were obtained from the Materials Project database (MP-ID: mp-1025545, 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_EuBrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72776800
_cell_length_b 6.29361300
_cell_length_c 7.03967308
_cell_angle_alpha 65.80678273
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuBrO2
_chemical_formula_sum 'Eu2 Br2 O4'
_cell_volume 150.65256740
_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 0.25000000 0.20246000 0.58901300 1.0
Eu Eu1 1 0.75000000 0.79754000 0.41098700 1.0
Br Br2 1 0.25000000 0.74713100 0.04138300 1.0
Br Br3 1 0.75000000 0.25286900 0.95861700 1.0
O O4 1 0.25000000 0.58656700 0.57847100 1.0
O O5 1 0.75000000 0.41343300 0.42152900 1.0
O O6 1 0.25000000 0.04217200 0.34586500 1.0
O O7 1 0.75000000 0.95782800 0.65413500 1.0
