Np2InRh2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-647240 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Np2InRh2

MP-ID

mp-647240

Elements

Sites

Density

12.4809

g/cm³

Volume

211.44

Å³

Cell a

7.6106

Cell b

7.6106

Cell c

3.6505

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.47	5.3815	4.8	(1,1,0)
23.38	3.8053	7.0	(2,0,0)
24.38	3.6505	2.2	(0,0,1)
26.18	3.4036	15.0	(2,1,0)
29.57	3.0211	5.9	(1,1,1)
33.30	2.6908	7.8	(2,2,0)
34.03	2.6343	26.3	(2,0,1)
36.08	2.4894	100.0	(2,1,1)
37.37	2.4067	37.8	(3,1,0)
42.84	2.1108	2.4	(3,2,0)
47.80	1.9027	3.8	(4,0,0)
49.37	1.8459	8.9	(4,1,0)
49.91	1.8273	1.5	(3,2,1)
49.97	1.8253	12.5	(0,0,2)
50.90	1.7938	9.2	(3,3,0)
53.87	1.7018	3.9	(4,2,0)
55.81	1.6473	19.0	(4,1,1)
55.87	1.6457	1.5	(2,0,2)
57.22	1.6100	10.3	(3,3,1)
57.27	1.6086	4.0	(2,1,2)
61.38	1.5105	2.7	(2,2,2)
64.02	1.4543	15.6	(3,1,2)
67.84	1.3816	6.0	(5,1,1)
67.89	1.3807	1.2	(3,2,2)

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Energy Properties

Formation Energy/atom

-0.65512

eV/atom

Energy/atom

-48.03501

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.0350

eV/atom

Volume/atom

21.14

Å³

c/a Ratio

0.4797

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.8001

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.070000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Np · 0.400

Element Family

Actinide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.9170

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.105%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4117

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.043

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Np-rich Multi-Component

Matrix Element

Np · 0.400

Related Tasks

Related computation task IDs (5)

aaadndsx aaadswiu aaaeucww aaafsfwz aaagablf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-647240

Reference Citation

The crystal structure and related material properties of Np2InRh2 were obtained from the Materials Project database (MP-ID: mp-647240, 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_Np2InRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61062824
_cell_length_b   7.61062824
_cell_length_c   3.65053289
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Np2InRh2
_chemical_formula_sum   'Np4 In2 Rh4'
_cell_volume   211.44493293
_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  0.66949042  0.83050958  0.50000000  1.0
  Np  Np1  1  0.33050958  0.16949042  0.50000000  1.0
  Np  Np2  1  0.83050958  0.33050958  0.50000000  1.0
  Np  Np3  1  0.16949042  0.66949042  0.50000000  1.0
  In  In4  1  0.50000000  0.50000000  -0.00000000  1.0
  In  In5  1  0.00000000  0.00000000  -0.00000000  1.0
  Rh  Rh6  1  0.86500557  0.63499443  -0.00000000  1.0
  Rh  Rh7  1  0.63499443  0.13499443  -0.00000000  1.0
  Rh  Rh8  1  0.13499443  0.36500557  0.00000000  1.0
  Rh  Rh9  1  0.36500557  0.86500557  0.00000000  1.0

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