Basic Information
Formula
U2InNi2
MP-ID
mp-647194
Elements
3
Sites
10
Density
12.2078
g/cm³
Volume
192.68
ų
Cell a
7.1881
Å
Cell b
7.1881
Å
Cell c
3.7292
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
No
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 |
|---|---|---|---|
| 17.45 | 5.0827 | 3.3 | (1,1,0) |
| 23.86 | 3.7292 | 7.8 | (0,0,1) |
| 24.77 | 3.5940 | 3.7 | (2,0,0) |
| 27.75 | 3.2146 | 32.7 | (2,1,0) |
| 29.71 | 3.0067 | 14.6 | (1,1,1) |
| 34.66 | 2.5878 | 30.6 | (2,0,1) |
| 35.32 | 2.5414 | 6.7 | (2,2,0) |
| 36.92 | 2.4348 | 100.0 | (2,1,1) |
| 39.65 | 2.2731 | 37.6 | (3,1,0) |
| 48.84 | 1.8646 | 14.3 | (0,0,2) |
| 50.81 | 1.7970 | 3.8 | (4,0,0) |
| 52.01 | 1.7581 | 2.0 | (3,2,1) |
| 52.49 | 1.7434 | 8.9 | (4,1,0) |
| 54.13 | 1.6942 | 7.7 | (3,3,0) |
| 56.88 | 1.6189 | 4.8 | (4,0,1) |
| 57.11 | 1.6129 | 9.8 | (2,1,2) |
| 57.32 | 1.6073 | 4.4 | (4,2,0) |
| 58.44 | 1.5793 | 15.8 | (4,1,1) |
| 59.97 | 1.5425 | 15.6 | (3,3,1) |
| 61.70 | 1.5034 | 2.7 | (2,2,2) |
| 64.66 | 1.4416 | 17.8 | (3,1,2) |
| 70.56 | 1.3348 | 3.0 | (5,2,0) |
| 71.56 | 1.3186 | 4.9 | (5,1,1) |
| 73.14 | 1.2939 | 2.7 | (4,0,2) |
Energy Properties
Formation Energy/atom
-0.04857
eV/atom
Energy/atom
-7.42902
eV/atom
Energy above Hull
0.1235
eV/atom
Uncorrected Energy
-7.4290
eV/atom
Volume/atom
19.27
ų
c/a Ratio
0.5188
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.4159
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.038490
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
U · 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
1.6685
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.593%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2431
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.040
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-647194
Reference Citation
The crystal structure and related material properties of U2InNi2 were obtained from the Materials Project database (MP-ID: mp-647194, 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_U2InNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18806100
_cell_length_b 7.18806100
_cell_length_c 3.72916900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U2InNi2
_chemical_formula_sum 'U4 In2 Ni4'
_cell_volume 192.67952781
_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
U U0 1 0.16332000 0.33668000 0.50000000 1.0
U U1 1 0.83668000 0.66332000 0.50000000 1.0
U U2 1 0.66332000 0.16332000 0.50000000 1.0
U U3 1 0.33668000 0.83668000 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
Ni Ni6 1 0.36825000 0.13175000 0.00000000 1.0
Ni Ni7 1 0.63175000 0.86825000 0.00000000 1.0
Ni Ni8 1 0.13175000 0.63175000 0.00000000 1.0
Ni Ni9 1 0.86825000 0.36825000 0.00000000 1.0
