Np3Al
Traditional Materials TRAMP-ID: mp-31434 · Space group: Pm-3m (#221)
Basic Information
Formula
Np3Al
MP-ID
mp-31434
Elements
2
Sites
4
Density
15.3401
g/cm³
Volume
79.89
ų
Cell a
4.3068
Å
Cell b
4.3068
Å
Cell c
4.3068
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.62 | 4.3068 | 23.7 | (1,0,0) |
| 29.33 | 3.0454 | 20.5 | (1,1,0) |
| 36.12 | 2.4865 | 100.0 | (1,1,1) |
| 41.95 | 2.1534 | 50.0 | (2,0,0) |
| 47.19 | 1.9261 | 11.6 | (2,1,0) |
| 52.01 | 1.7583 | 8.8 | (2,1,1) |
| 60.83 | 1.5227 | 34.3 | (2,2,0) |
| 64.96 | 1.4356 | 5.8 | (3,0,0) |
| 68.95 | 1.3619 | 3.9 | (3,1,0) |
| 72.84 | 1.2986 | 40.8 | (3,1,1) |
| 76.64 | 1.2433 | 11.9 | (2,2,2) |
| 80.39 | 1.1945 | 2.6 | (3,2,0) |
| 84.10 | 1.1510 | 4.7 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.23068
eV/atom
Energy/atom
-63.72051
eV/atom
Energy above Hull
0.3811
eV/atom
Uncorrected Energy
-10.3192
eV/atom
Volume/atom
19.97
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
7.9076
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.098990
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Np · 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
0.521
Family
Binary Alloy
Matrix Element
Np · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31434
Reference Citation
The crystal structure and related material properties of Np3Al were obtained from the Materials Project database (MP-ID: mp-31434, 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_Np3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30680900
_cell_length_b 4.30680900
_cell_length_c 4.30680900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Np3Al
_chemical_formula_sum 'Np3 Al1'
_cell_volume 79.88529362
_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
Np Np0 1 0.50000000 0.50000000 0.00000000 1.0
Np Np1 1 0.50000000 0.00000000 0.50000000 1.0
Np Np2 1 0.00000000 0.50000000 0.50000000 1.0
Al Al3 1 0.00000000 0.00000000 0.00000000 1.0
