Basic Information
Formula
U2InRh2
MP-ID
mp-646609
Elements
3
Sites
10
Density
12.5661
g/cm³
Volume
210.55
ų
Cell a
7.6429
Å
Cell b
7.6429
Å
Cell c
3.6045
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.99
°
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 |
|---|---|---|---|
| 16.40 | 5.4047 | 4.4 | (1,1,0) |
| 16.40 | 5.4040 | 4.4 | (1,-1,0) |
| 23.28 | 3.8215 | 14.4 | (2,0,0) |
| 24.70 | 3.6045 | 3.7 | (0,0,1) |
| 26.07 | 3.4182 | 14.3 | (2,1,0) |
| 26.07 | 3.4178 | 14.3 | (2,-1,0) |
| 29.79 | 2.9988 | 6.6 | (1,1,1) |
| 29.79 | 2.9987 | 6.6 | (1,-1,1) |
| 33.15 | 2.7024 | 7.6 | (2,2,0) |
| 33.16 | 2.7020 | 7.6 | (2,-2,0) |
| 34.20 | 2.6221 | 45.4 | (2,0,1) |
| 36.22 | 2.4803 | 100.0 | (2,1,1) |
| 36.22 | 2.4802 | 100.0 | (2,-1,1) |
| 37.20 | 2.4170 | 39.3 | (3,1,0) |
| 37.20 | 2.4168 | 39.3 | (3,-1,0) |
| 42.65 | 2.1199 | 1.5 | (3,2,0) |
| 42.66 | 2.1196 | 1.5 | (3,-2,0) |
| 47.59 | 1.9107 | 8.2 | (4,0,0) |
| 49.15 | 1.8537 | 7.3 | (4,1,0) |
| 49.15 | 1.8536 | 7.3 | (4,-1,0) |
| 49.91 | 1.8273 | 1.3 | (3,2,1) |
| 49.91 | 1.8271 | 1.3 | (3,-2,1) |
| 50.65 | 1.8023 | 23.7 | (0,0,2) |
| 50.67 | 1.8016 | 9.8 | (3,3,0) |
Energy Properties
Formation Energy/atom
-0.59308
eV/atom
Energy/atom
-46.74010
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-46.7401
eV/atom
Volume/atom
21.06
ų
c/a Ratio
0.4716
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.0135
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.038060
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
3.3468
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.105%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4030
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
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-646609
Reference Citation
The crystal structure and related material properties of U2InRh2 were obtained from the Materials Project database (MP-ID: mp-646609, 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_U2InRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64290944
_cell_length_b 7.64290944
_cell_length_c 3.60452431
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.99280342
_symmetry_Int_Tables_number 1
_chemical_formula_structural U2InRh2
_chemical_formula_sum 'U4 In2 Rh4'
_cell_volume 210.55491435
_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 0.16791077 0.33208923 0.50000000 1.0
U U1 1 0.66793063 0.16793063 0.50000000 1.0
U U2 1 0.33206937 0.83206937 0.50000000 1.0
U U3 1 0.83208923 0.66791077 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 0.36023954 0.13976046 -0.00000000 1.0
Rh Rh7 1 0.63976046 0.86023954 -0.00000000 1.0
Rh Rh8 1 0.86026558 0.36026558 0.00000000 1.0
Rh Rh9 1 0.13973442 0.63973442 0.00000000 1.0
