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NpCd

Traditional Materials TRA

MP-ID: mp-1186147 · Space group: P-6m2 (#187)

Basic Information

Formula
NpCd
MP-ID
mp-1186147
Elements
2
Sites
2
Density
14.1297
g/cm³
Volume
41.06
ų
Cell a
2.8464
Å
Cell b
2.8500
Å
Cell c
5.8322
Å
α Angle
89.96
°
β Angle
90.04
°
γ Angle
119.78
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.19 5.8322 55.3 (0,0,0,1)
30.66 2.9161 100.0 (0,0,0,2)
36.32 2.4736 21.4 (0,1,-1,0)
36.37 2.4705 21.3 (1,0,-1,0)
36.47 2.4639 21.2 (1,-1,0,0)
39.57 2.2775 39.4 (0,1,-1,1)
39.58 2.2770 39.4 (0,1,-1,-1)
39.61 2.2751 39.3 (1,0,-1,-1)
39.63 2.2745 39.2 (1,0,-1,1)
39.70 2.2703 39.0 (1,-1,0,-1)
39.72 2.2691 39.0 (1,-1,0,1)
46.73 1.9441 3.8 (0,0,0,3)
48.24 1.8867 9.8 (0,1,-1,2)
48.25 1.8860 9.8 (0,1,-1,-2)
48.27 1.8853 9.8 (1,0,-1,-2)
48.29 1.8846 9.8 (1,0,-1,2)
48.34 1.8827 9.7 (1,-1,0,-2)
48.38 1.8814 9.7 (1,-1,0,2)
60.57 1.5288 11.4 (0,1,-1,3)
60.59 1.5282 11.4 (0,1,-1,-3)
60.60 1.5280 11.4 (1,0,-1,-3)
60.62 1.5275 11.4 (1,0,-1,3)
60.66 1.5268 11.3 (1,-1,0,-3)
60.70 1.5257 11.3 (1,-1,0,3)
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Energy Properties

Formation Energy/atom
0.22431
eV/atom
Energy/atom
-51.34029
eV/atom
Energy above Hull
0.2243
eV/atom
Uncorrected Energy
-6.7110
eV/atom
Volume/atom
20.53
ų
c/a Ratio
2.0490

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.0881
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.075200
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Np · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.395
Family
Binary Alloy
Matrix Element
Np · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1186147
Reference Citation

The crystal structure and related material properties of NpCd were obtained from the Materials Project database (MP-ID: mp-1186147, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_NpCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84640154
_cell_length_b   2.85002129
_cell_length_c   5.83215534
_cell_angle_alpha   89.96402109
_cell_angle_beta   90.03746736
_cell_angle_gamma   119.78210365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpCd
_chemical_formula_sum   'Np1 Cd1'
_cell_volume   41.06324349
_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  0.33333400  0.66669500  0.25000000  1.0
  Cd  Cd1  1  0.66666500  0.33330300  0.75000100  1.0
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