NpP
传统材料 TRAMP-ID: mp-10108 · Space group: Fm-3m (#225)
Basic Information
Formula
NpP
MP-ID
mp-10108
Elements
2
Sites
2
Density
9.6828
g/cm³
Volume
45.96
ų
Cell a
4.0206
Å
Cell b
4.0206
Å
Cell c
4.0206
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
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 |
|---|---|---|---|
| 27.16 | 3.2828 | 100.0 | (1,0,0) |
| 27.16 | 3.2828 | 33.3 | (1,1,1) |
| 31.47 | 2.8430 | 40.1 | (1,1,0) |
| 31.47 | 2.8430 | 80.2 | (1,0,1) |
| 45.10 | 2.0103 | 15.0 | (1,0,-1) |
| 45.10 | 2.0103 | 60.1 | (1,-1,0) |
| 45.10 | 2.0103 | 15.0 | (1,1,2) |
| 53.45 | 1.7144 | 16.8 | (2,1,0) |
| 53.45 | 1.7144 | 33.5 | (1,-1,1) |
| 53.45 | 1.7144 | 16.8 | (1,0,2) |
| 56.03 | 1.6414 | 24.0 | (2,0,0) |
| 56.03 | 1.6414 | 8.0 | (2,2,2) |
| 65.69 | 1.4215 | 5.0 | (2,2,0) |
| 65.69 | 1.4215 | 10.0 | (2,0,2) |
| 72.46 | 1.3044 | 9.3 | (2,0,-1) |
| 72.46 | 1.3044 | 9.3 | (2,-1,0) |
| 72.46 | 1.3044 | 6.9 | (3,2,2) |
| 72.46 | 1.3044 | 2.3 | (2,2,3) |
| 74.65 | 1.2714 | 3.5 | (2,1,-1) |
| 74.65 | 1.2714 | 7.0 | (1,2,-1) |
| 74.65 | 1.2714 | 17.5 | (2,-1,1) |
| 74.65 | 1.2714 | 7.0 | (3,1,2) |
| 74.65 | 1.2714 | 7.0 | (2,1,3) |
| 83.25 | 1.1606 | 5.4 | (3,1,0) |
Energy Properties
Formation Energy/atom
-1.42959
eV/atom
Energy/atom
-47.44273
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-47.4427
eV/atom
Volume/atom
22.98
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
3.7746
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.082140
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Np · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Np · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10108
Reference Citation
The crystal structure and related material properties of NpP were obtained from the Materials Project database (MP-ID: mp-10108, 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_NpP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02054969
_cell_length_b 4.02054935
_cell_length_c 4.02054870
_cell_angle_alpha 60.00001428
_cell_angle_beta 60.00001715
_cell_angle_gamma 60.00000344
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpP
_chemical_formula_sum 'Np1 P1'
_cell_volume 45.95589986
_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 0.00000000 -0.00000000 0.00000000 1.0
P P1 1 0.50000000 0.50000000 0.50000000 1.0
