TmNp3

Traditional Materials TRA

MP-ID: mp-1005727 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

TmNp3

MP-ID

mp-1005727

Elements

Sites

Density

14.8473

g/cm³

Volume

98.41

Å³

Cell a

4.6169

Cell b

4.6169

Cell c

4.6169

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
19.22	4.6169	1.5	(1,0,0)
27.32	3.2646	1.3	(1,1,0)
33.62	2.6656	100.0	(1,1,1)
39.02	2.3085	50.4	(2,0,0)
56.37	1.6323	35.5	(2,2,0)
67.26	1.3921	42.1	(3,1,1)
70.68	1.3328	12.2	(2,2,2)
83.81	1.1542	5.9	(4,0,0)

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Energy Properties

Formation Energy/atom

0.67096

eV/atom

Energy/atom

-70.37746

eV/atom

Energy above Hull

0.6710

eV/atom

Uncorrected Energy

-10.1588

eV/atom

Volume/atom

24.60

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.1595

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.123560

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Np · 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

Np · 0.750

Related Tasks

Related computation task IDs (5)

aaadnxfj aaadttdu aaadwyco aaaescnn aaafxexr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1005727

Reference Citation

The crystal structure and related material properties of TmNp3 were obtained from the Materials Project database (MP-ID: mp-1005727, 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_TmNp3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61689800
_cell_length_b   4.61689800
_cell_length_c   4.61689800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNp3
_chemical_formula_sum   'Tm1 Np3'
_cell_volume   98.41263035
_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
  Tm  Tm0  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  0.00000000  0.50000000  1.0
  Np  Np3  1  0.50000000  0.50000000  0.00000000  1.0

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