Basic Information
Formula
Np2InPt2
MP-ID
mp-647347
Elements
3
Sites
10
Density
14.3148
g/cm³
Volume
227.13
ų
Cell a
7.7755
Å
Cell b
7.7755
Å
Cell c
3.7568
Å
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
tP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.12 | 5.4983 | 11.4 | (1,1,0) |
| 16.12 | 5.4979 | 11.4 | (1,-1,0) |
| 22.87 | 3.8877 | 10.3 | (2,0,0) |
| 25.62 | 3.4774 | 1.0 | (2,1,0) |
| 25.62 | 3.4772 | 1.0 | (2,-1,0) |
| 32.57 | 2.7491 | 5.6 | (2,2,0) |
| 32.57 | 2.7489 | 5.6 | (2,-2,0) |
| 33.16 | 2.7016 | 38.4 | (2,0,1) |
| 35.17 | 2.5520 | 100.0 | (2,1,1) |
| 35.17 | 2.5519 | 100.0 | (2,-1,1) |
| 36.54 | 2.4589 | 33.9 | (3,1,0) |
| 36.55 | 2.4588 | 33.9 | (3,-1,0) |
| 41.89 | 2.1566 | 6.7 | (3,2,0) |
| 41.89 | 2.1565 | 6.7 | (3,-2,0) |
| 44.01 | 2.0574 | 1.5 | (3,1,1) |
| 44.01 | 2.0573 | 1.5 | (3,-1,1) |
| 46.73 | 1.9439 | 11.4 | (4,0,0) |
| 48.26 | 1.8859 | 6.6 | (4,1,0) |
| 48.26 | 1.8858 | 6.6 | (4,-1,0) |
| 48.46 | 1.8784 | 25.0 | (0,0,2) |
| 48.68 | 1.8703 | 4.4 | (3,2,1) |
| 48.69 | 1.8702 | 4.4 | (3,-2,1) |
| 49.75 | 1.8328 | 8.1 | (3,3,0) |
| 49.75 | 1.8326 | 8.2 | (3,-3,0) |
Energy Properties
Formation Energy/atom
-0.94237
eV/atom
Energy/atom
-59.26286
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-59.2629
eV/atom
Volume/atom
22.71
ų
c/a Ratio
0.4832
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
15.4214
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.067900
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Np · 0.400
Element Family
Actinide
Solute Fraction
0.600
Interstitial Fraction
0.000
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
6.5908
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.433%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4117
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.685
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-647347
Reference Citation
The crystal structure and related material properties of Np2InPt2 were obtained from the Materials Project database (MP-ID: mp-647347, 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
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Raw CIF Data
# generated using pymatgen
data_Np2InPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77545231
_cell_length_b 7.77545231
_cell_length_c 3.75681276
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.99564194
_symmetry_Int_Tables_number 1
_chemical_formula_structural Np2InPt2
_chemical_formula_sum 'Np4 In2 Pt4'
_cell_volume 227.12810245
_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 0.17242601 0.67242601 0.50000000 1.0
Np Np1 1 0.32760199 0.17239801 0.50000000 1.0
Np Np2 1 0.67239801 0.82760199 0.50000000 1.0
Np Np3 1 0.82757399 0.32757399 0.50000000 1.0
In In4 1 -0.00000000 -0.00000000 -0.00000000 1.0
In In5 1 0.50000000 0.50000000 -0.00000000 1.0
Pt Pt6 1 0.87017478 0.62982522 -0.00000000 1.0
Pt Pt7 1 0.37022815 0.87022815 0.00000000 1.0
Pt Pt8 1 0.62977185 0.12977185 0.00000000 1.0
Pt Pt9 1 0.12982522 0.37017478 -0.00000000 1.0
