ErNp3

传统材料 TRA

MP-ID: mp-1006245 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

ErNp3

MP-ID

mp-1006245

Elements

Sites

Density

14.1205

g/cm³

Volume

103.28

Å³

Cell a

4.6918

Cell b

4.6918

Cell c

4.6918

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 8)

2θ	d (Å)	I	hkl
18.91	4.6918	1.6	(1,0,0)
26.87	3.3176	1.4	(1,1,0)
33.07	2.7088	100.0	(1,1,1)
38.37	2.3459	50.5	(2,0,0)
55.39	1.6588	35.7	(2,2,0)
66.04	1.4146	42.5	(3,1,1)
69.39	1.3544	12.3	(2,2,2)
82.18	1.1730	5.9	(4,0,0)

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Energy Properties

Formation Energy/atom

0.68381

eV/atom

Energy/atom

-70.06571

eV/atom

Energy above Hull

0.6838

eV/atom

Uncorrected Energy

-10.1690

eV/atom

Volume/atom

25.82

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.4964

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.120990

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Np · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

Np · 0.750

Related Tasks

Related computation task IDs (5)

aaadmens aaadusxv aaadwydd aaaesleq aaafbrgz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006245

Reference Citation

The crystal structure and related material properties of ErNp3 were obtained from the Materials Project database (MP-ID: mp-1006245, 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_ErNp3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69181300
_cell_length_b   4.69181300
_cell_length_c   4.69181300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErNp3
_chemical_formula_sum   'Er1 Np3'
_cell_volume   103.28139204
_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
  Er  Er0  1  0.00000000  0.00000000  0.00000000  1.0
  Np  Np1  1  0.00000000  0.50000000  0.50000000  1.0
  Np  Np2  1  0.50000000  0.50000000  0.00000000  1.0
  Np  Np3  1  0.50000000  0.00000000  0.50000000  1.0

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