NpCo2
Traditional Materials TRAMP-ID: mp-310 · Space group: Fd-3m (#227)
Basic Information
Formula
NpCo2
MP-ID
mp-310
Elements
2
Sites
6
Density
13.0757
g/cm³
Volume
90.13
ų
Cell a
5.0329
Å
Cell b
5.0334
Å
Cell c
5.0334
Å
α Angle
59.98
°
β Angle
60.00
°
γ Angle
59.98
°
Space Group
Fd-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 |
|---|---|---|---|
| 21.62 | 4.1101 | 63.7 | (1,1,1) |
| 21.63 | 4.1094 | 63.7 | (0,0,1) |
| 21.63 | 4.1089 | 63.7 | (1,0,0) |
| 21.63 | 4.1083 | 63.7 | (0,1,0) |
| 35.68 | 2.5167 | 100.0 | (1,2,1) |
| 35.68 | 2.5167 | 100.0 | (1,1,2) |
| 35.68 | 2.5167 | 100.0 | (1,0,-1) |
| 35.68 | 2.5164 | 100.0 | (2,1,1) |
| 35.69 | 2.5158 | 99.9 | (0,1,-1) |
| 35.69 | 2.5157 | 99.9 | (1,-1,0) |
| 42.10 | 2.1465 | 60.4 | (1,2,2) |
| 42.10 | 2.1464 | 60.4 | (0,1,2) |
| 42.10 | 2.1464 | 60.4 | (2,2,1) |
| 42.10 | 2.1462 | 60.4 | (2,1,0) |
| 42.11 | 2.1461 | 60.3 | (1,1,-1) |
| 42.11 | 2.1460 | 60.4 | (1,-1,-1) |
| 42.11 | 2.1459 | 60.3 | (1,2,0) |
| 42.11 | 2.1459 | 60.3 | (0,2,1) |
| 42.11 | 2.1459 | 60.3 | (2,1,2) |
| 42.12 | 2.1456 | 60.3 | (1,0,2) |
| 42.12 | 2.1454 | 60.3 | (2,0,1) |
| 42.12 | 2.1451 | 60.3 | (1,-1,1) |
| 44.07 | 2.0550 | 15.6 | (2,2,2) |
| 44.07 | 2.0547 | 15.6 | (0,0,2) |
Energy Properties
Formation Energy/atom
-0.07958
eV/atom
Energy/atom
-36.57714
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.5771
eV/atom
Volume/atom
15.02
ų
c/a Ratio
1.0001
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8163
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.042340
μB/ų
Elastic Properties
KVRH
171.119
GPa
GVRH
2.311
GPa
Young's Modulus E
6.902
GPa
Poisson Ratio ν
0.493
Pugh Ratio K/G
74.041
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-5.028
Lame λ
169.578
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Co-based Alloy
Matrix Element
Co · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-310
Reference Citation
The crystal structure and related material properties of NpCo2 were obtained from the Materials Project database (MP-ID: mp-310, 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_NpCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03284938
_cell_length_b 5.03340723
_cell_length_c 5.03338873
_cell_angle_alpha 59.97695682
_cell_angle_beta 60.00317654
_cell_angle_gamma 59.97615281
_symmetry_Int_Tables_number 1
_chemical_formula_structural NpCo2
_chemical_formula_sum 'Np2 Co4'
_cell_volume 90.13177020
_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
Np Np0 1 0.87536152 0.87467091 0.87531097 1.0
Np Np1 1 0.12540222 0.12465503 0.12527491 1.0
Co Co2 1 0.49999276 0.49999625 0.49962674 1.0
Co Co3 1 0.50001283 0.50035748 -0.00033958 1.0
Co Co4 1 -0.00039087 0.49994877 0.50005911 1.0
Co Co5 1 0.49962054 0.00037157 0.50006484 1.0
