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NpBe13

Traditional Materials TRA

MP-ID: mp-30442 · Space group: Fm-3c (#226)

Basic Information

Formula
NpBe13
MP-ID
mp-30442
Elements
2
Sites
28
Density
4.3669
g/cm³
Volume
269.34
ų
Cell a
7.2521
Å
Cell b
7.2521
Å
Cell c
7.2580
Å
α Angle
59.97
°
β Angle
59.97
°
γ Angle
59.78
°
Space Group
Fm-3c
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
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
17.27 5.1346 50.2 (1,1,0)
17.32 5.1213 100.0 (1,0,1)
24.53 3.6290 26.2 (1,1,2)
24.55 3.6260 52.3 (1,0,-1)
24.55 3.6260 52.3 (2,1,1)
24.64 3.6137 25.9 (1,-1,0)
30.16 2.9635 16.9 (0,0,2)
30.16 2.9635 16.9 (2,2,2)
30.24 2.9552 33.6 (2,0,0)
34.95 2.5673 11.5 (2,2,0)
35.04 2.5607 23.0 (2,0,2)
39.26 2.2951 9.1 (1,2,-1)
39.26 2.2951 27.2 (2,1,-1)
39.27 2.2942 18.1 (2,1,3)
39.32 2.2915 9.0 (1,-1,2)
39.32 2.2915 27.1 (1,-1,-2)
39.41 2.2865 17.9 (2,-1,1)
43.16 2.0959 14.9 (1,1,-2)
43.19 2.0946 29.7 (1,0,3)
43.23 2.0929 14.9 (3,1,0)
43.32 2.0887 14.8 (2,-1,-1)
43.32 2.0887 14.8 (3,0,1)
50.28 1.8145 3.7 (2,2,4)
50.33 1.8130 7.3 (2,0,-2)
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Energy Properties

Formation Energy/atom
-0.06402
eV/atom
Energy/atom
-4.46118
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.1142
eV/atom
Volume/atom
9.62
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
8.2450
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.030610
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.929
Element Family
N/A
Solute Fraction
0.071
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.598
Family
Binary Alloy
Matrix Element
Be · 0.929

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30442
Reference Citation

The crystal structure and related material properties of NpBe13 were obtained from the Materials Project database (MP-ID: mp-30442, 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_NpBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25205210
_cell_length_b   7.25205227
_cell_length_c   7.25799437
_cell_angle_alpha   59.97290128
_cell_angle_beta   59.97290055
_cell_angle_gamma   59.77500765
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpBe13
_chemical_formula_sum   'Np2 Be26'
_cell_volume   269.34080449
_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  0.25000000  0.25000000  0.25000000  1.0
  Np  Np1  1  0.75000000  0.75000000  0.75000000  1.0
  Be  Be2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Be  Be3  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be4  1  0.28980899  0.93776128  0.06257259  1.0
  Be  Be5  1  0.56287656  0.43712344  0.78852016  1.0
  Be  Be6  1  0.79141141  0.20858859  0.56126090  1.0
  Be  Be7  1  0.56210108  0.78935774  0.21084091  1.0
  Be  Be8  1  0.43789892  0.21064226  0.78915909  1.0
  Be  Be9  1  0.43776128  0.78980899  0.56257259  1.0
  Be  Be10  1  0.78980899  0.43776128  0.20985514  1.0
  Be  Be11  1  0.06210108  0.28935774  0.93770128  1.0
  Be  Be12  1  0.93712344  0.06287656  0.28852016  1.0
  Be  Be13  1  0.70858859  0.29141141  0.06126090  1.0
  Be  Be14  1  0.93789892  0.71064226  0.06229872  1.0
  Be  Be15  1  0.71064226  0.93789892  0.28915909  1.0
  Be  Be16  1  0.06287656  0.93712344  0.71147984  1.0
  Be  Be17  1  0.28935774  0.06210108  0.71084091  1.0
  Be  Be18  1  0.29141141  0.70858859  0.93873910  1.0
  Be  Be19  1  0.78935774  0.56210108  0.43770128  1.0
  Be  Be20  1  0.20858859  0.79141141  0.43873910  1.0
  Be  Be21  1  0.21019101  0.56223872  0.79014486  1.0
  Be  Be22  1  0.56223872  0.21019101  0.43742741  1.0
  Be  Be23  1  0.43712344  0.56287656  0.21147984  1.0
  Be  Be24  1  0.21064226  0.43789892  0.56229872  1.0
  Be  Be25  1  0.06223872  0.71019101  0.29014486  1.0
  Be  Be26  1  0.71019101  0.06223872  0.93742741  1.0
  Be  Be27  1  0.93776128  0.28980899  0.70985514  1.0
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