EuNb3
Traditional Materials TRAMP-ID: mp-1184454 · Space group: P6_3/mmc (#194)
Basic Information
Formula
EuNb3
MP-ID
mp-1184454
Elements
2
Sites
8
Density
7.7321
g/cm³
Volume
184.99
ų
Cell a
6.4862
Å
Cell b
6.4862
Å
Cell c
5.0772
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 |
|---|---|---|---|
| 15.78 | 5.6172 | 1.5 | (1,0,-1,0) |
| 23.62 | 3.7666 | 13.7 | (1,0,-1,1) |
| 27.50 | 3.2431 | 3.2 | (2,-1,-1,0) |
| 27.50 | 3.2431 | 1.6 | (1,1,-2,0) |
| 31.86 | 2.8086 | 23.5 | (2,0,-2,0) |
| 35.36 | 2.5386 | 27.5 | (0,0,0,2) |
| 36.56 | 2.4577 | 100.0 | (2,0,-2,1) |
| 42.58 | 2.1231 | 5.5 | (3,-1,-2,0) |
| 42.58 | 2.1231 | 2.8 | (2,1,-3,0) |
| 45.37 | 1.9990 | 2.6 | (2,-1,-1,2) |
| 48.33 | 1.8833 | 14.4 | (2,0,-2,2) |
| 52.06 | 1.7568 | 7.4 | (3,0,-3,1) |
| 56.50 | 1.6286 | 7.1 | (3,-1,-2,2) |
| 56.77 | 1.6216 | 9.3 | (4,-2,-2,0) |
| 56.77 | 1.6216 | 4.6 | (2,2,-4,0) |
| 56.82 | 1.6205 | 1.3 | (1,0,-1,3) |
| 62.34 | 1.4894 | 2.1 | (4,-3,-1,1) |
| 62.34 | 1.4894 | 4.1 | (4,-1,-3,1) |
| 64.26 | 1.4496 | 18.7 | (2,0,-2,3) |
| 66.59 | 1.4043 | 1.5 | (4,0,-4,0) |
| 68.68 | 1.3666 | 10.4 | (4,-2,-2,2) |
| 68.68 | 1.3666 | 5.2 | (2,2,-4,2) |
| 69.44 | 1.3535 | 3.1 | (4,-4,0,1) |
| 69.44 | 1.3535 | 6.1 | (4,0,-4,1) |
Energy Properties
Formation Energy/atom
0.58440
eV/atom
Energy/atom
-27.59638
eV/atom
Energy above Hull
0.5844
eV/atom
Uncorrected Energy
-9.5558
eV/atom
Volume/atom
23.12
ų
c/a Ratio
0.7828
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.5494
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.073250
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nb · 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
0.606
Family
Binary Alloy
Matrix Element
Nb · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184454
Reference Citation
The crystal structure and related material properties of EuNb3 were obtained from the Materials Project database (MP-ID: mp-1184454, 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_EuNb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48622061
_cell_length_b 6.48622061
_cell_length_c 5.07723300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000623
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuNb3
_chemical_formula_sum 'Eu2 Nb6'
_cell_volume 184.98696637
_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
Nb Nb2 1 0.14178100 0.28356200 0.25000000 1.0
Nb Nb3 1 0.71643800 0.85821900 0.25000000 1.0
Nb Nb4 1 0.14178100 0.85821900 0.25000000 1.0
Nb Nb5 1 0.85821900 0.71643800 0.75000000 1.0
Nb Nb6 1 0.28356200 0.14178100 0.75000000 1.0
Nb Nb7 1 0.85821900 0.14178100 0.75000000 1.0
