Sm3Np

Traditional Materials TRA

MP-ID: mp-1005719 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sm3Np

MP-ID

mp-1005719

Elements

Sites

Density

8.9495

g/cm³

Volume

127.67

Å³

Cell a

5.0354

Cell b

5.0354

Cell c

5.0354

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

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
17.61	5.0354	3.8	(1,0,0)
25.01	3.5605	3.4	(1,1,0)
30.76	2.9072	100.0	(1,1,1)
35.66	2.5177	50.7	(2,0,0)
40.04	2.2519	2.2	(2,1,0)
44.05	2.0557	1.7	(2,1,1)
51.32	1.7803	36.4	(2,2,0)
54.68	1.6785	1.2	(3,0,0)
61.03	1.5182	43.4	(3,1,1)
64.06	1.4536	12.5	(2,2,2)
75.53	1.2588	5.8	(4,0,0)
83.73	1.1552	18.1	(3,3,1)
86.42	1.1259	17.0	(4,2,0)

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Energy Properties

Formation Energy/atom

0.36970

eV/atom

Energy/atom

-42.68604

eV/atom

Energy above Hull

0.3697

eV/atom

Uncorrected Energy

-6.4062

eV/atom

Volume/atom

31.92

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8831

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.038250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

Sm · 0.750

Related Tasks

Related computation task IDs (5)

aaadoqmr aaadwexu aaadwxul aaaespei aaafbjtj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1005719

Reference Citation

The crystal structure and related material properties of Sm3Np were obtained from the Materials Project database (MP-ID: mp-1005719, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Sm3Np
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03535600
_cell_length_b   5.03535600
_cell_length_c   5.03535600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Np
_chemical_formula_sum   'Sm3 Np1'
_cell_volume   127.67049490
_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
  Sm  Sm0  1  0.00000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.50000000  0.00000000  0.50000000  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.00000000  1.0
  Np  Np3  1  0.00000000  0.00000000  0.00000000  1.0

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