Basic Information
Formula
EuBN2
MP-ID
mp-1019734
Elements
3
Sites
24
Density
6.5744
g/cm³
Volume
289.13
ų
Cell a
7.3021
Å
Cell b
7.3021
Å
Cell c
7.3021
Å
α Angle
110.39
°
β Angle
110.39
°
γ Angle
110.39
°
Space Group
R-3c
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
Yes
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 |
|---|---|---|---|
| 14.78 | 5.9956 | 22.8 | (1,-1,0) |
| 14.78 | 5.9955 | 45.6 | (1,0,-1) |
| 26.06 | 3.4195 | 24.4 | (2,0,-1) |
| 26.06 | 3.4195 | 12.2 | (1,0,-2) |
| 27.00 | 3.3021 | 1.1 | (1,1,0) |
| 27.00 | 3.3021 | 2.2 | (1,0,1) |
| 29.80 | 2.9978 | 14.4 | (2,-2,0) |
| 29.80 | 2.9978 | 28.8 | (2,0,-2) |
| 30.92 | 2.8925 | 100.0 | (2,0,0) |
| 33.67 | 2.6616 | 92.4 | (2,1,-2) |
| 34.43 | 2.6051 | 4.6 | (2,1,-1) |
| 34.43 | 2.6051 | 9.3 | (2,-1,1) |
| 39.78 | 2.2661 | 6.4 | (3,-1,-2) |
| 40.00 | 2.2542 | 4.8 | (3,-2,0) |
| 40.00 | 2.2542 | 9.6 | (3,0,-2) |
| 40.65 | 2.2196 | 7.3 | (3,0,-1) |
| 40.65 | 2.2196 | 14.5 | (3,-1,0) |
| 41.71 | 2.1652 | 22.6 | (2,1,0) |
| 43.48 | 2.0815 | 16.2 | (2,2,-2) |
| 45.38 | 1.9985 | 5.0 | (3,-3,0) |
| 45.38 | 1.9985 | 10.0 | (3,0,-3) |
| 48.17 | 1.8890 | 3.8 | (3,1,-3) |
| 50.67 | 1.8017 | 25.8 | (4,-1,-2) |
| 50.67 | 1.8017 | 12.9 | (2,1,-4) |
Energy Properties
Formation Energy/atom
-1.26072
eV/atom
Energy/atom
-17.29190
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.2919
eV/atom
Volume/atom
12.05
ų
c/a Ratio
1.0000
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
FiM
Mag. Sites
12
Magnetization/Volume
0.124510
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.750
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.469
Family
Interstitial Alloy
Matrix Element
N · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1019734
Reference Citation
The crystal structure and related material properties of EuBN2 were obtained from the Materials Project database (MP-ID: mp-1019734, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_EuBN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30206651
_cell_length_b 7.30206651
_cell_length_c 7.30206548
_cell_angle_alpha 110.38512326
_cell_angle_beta 110.38512326
_cell_angle_gamma 110.38512269
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuBN2
_chemical_formula_sum 'Eu6 B6 N12'
_cell_volume 289.13442811
_cell_formula_units_Z 6
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 0.30021528 0.19978472 0.75000000 1.0
Eu Eu1 1 0.75000000 0.30021528 0.19978472 1.0
Eu Eu2 1 0.19978472 0.75000000 0.30021528 1.0
Eu Eu3 1 0.25000000 0.69978472 0.80021528 1.0
Eu Eu4 1 0.80021528 0.25000000 0.69978472 1.0
Eu Eu5 1 0.69978472 0.80021528 0.25000000 1.0
B B6 1 0.62895319 0.87104681 0.75000000 1.0
B B7 1 0.75000000 0.62895319 0.87104681 1.0
B B8 1 0.87104681 0.75000000 0.62895319 1.0
B B9 1 0.25000000 0.37104681 0.12895319 1.0
B B10 1 0.12895319 0.25000000 0.37104681 1.0
B B11 1 0.37104681 0.12895319 0.25000000 1.0
N N12 1 0.87335795 0.62664205 0.75000000 1.0
N N13 1 0.75000000 0.87335795 0.62664205 1.0
N N14 1 0.62664205 0.75000000 0.87335795 1.0
N N15 1 0.25000000 0.12664205 0.37335795 1.0
N N16 1 0.37335795 0.25000000 0.12664205 1.0
N N17 1 0.12664205 0.37335795 0.25000000 1.0
N N18 1 0.50727069 0.99272931 0.75000000 1.0
N N19 1 0.75000000 0.50727069 0.99272931 1.0
N N20 1 0.99272931 0.75000000 0.50727069 1.0
N N21 1 0.25000000 0.49272931 0.00727069 1.0
N N22 1 0.00727069 0.25000000 0.49272931 1.0
N N23 1 0.49272931 0.00727069 0.25000000 1.0
