Basic Information
Formula
UInRh
MP-ID
mp-1091404
Elements
3
Sites
9
Density
11.9894
g/cm³
Volume
189.37
ų
Cell a
7.2462
Å
Cell b
7.2462
Å
Cell c
4.1644
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 14.11 | 6.2754 | 1.3 | (1,0,-1,0) |
| 21.34 | 4.1644 | 4.4 | (0,0,0,1) |
| 24.57 | 3.6231 | 8.0 | (2,-1,-1,0) |
| 25.67 | 3.4699 | 2.1 | (1,0,-1,1) |
| 28.45 | 3.1377 | 17.0 | (2,0,-2,0) |
| 32.76 | 2.7334 | 100.0 | (2,-1,-1,1) |
| 35.83 | 2.5060 | 99.5 | (2,0,-2,1) |
| 37.93 | 2.3719 | 15.7 | (2,1,-3,0) |
| 37.93 | 2.3719 | 31.4 | (3,-1,-2,0) |
| 43.25 | 2.0918 | 19.0 | (3,0,-3,0) |
| 43.46 | 2.0822 | 28.3 | (0,0,0,2) |
| 43.93 | 2.0610 | 11.8 | (3,-1,-2,1) |
| 50.37 | 1.8116 | 4.6 | (4,-2,-2,0) |
| 50.56 | 1.8053 | 2.7 | (2,-1,-1,2) |
| 52.58 | 1.7405 | 17.7 | (4,-1,-3,0) |
| 52.76 | 1.7349 | 6.6 | (2,0,-2,2) |
| 55.30 | 1.6612 | 2.3 | (4,-2,-2,1) |
| 57.38 | 1.6059 | 29.6 | (4,-1,-3,1) |
| 58.86 | 1.5689 | 2.4 | (4,0,-4,0) |
| 59.03 | 1.5648 | 26.0 | (3,-1,-2,2) |
| 62.99 | 1.4757 | 12.4 | (3,0,-3,2) |
| 64.75 | 1.4397 | 1.7 | (5,-2,-3,0) |
| 68.52 | 1.3694 | 3.5 | (5,-1,-4,0) |
| 68.68 | 1.3667 | 3.7 | (4,-2,-2,2) |
Energy Properties
Formation Energy/atom
-0.49775
eV/atom
Energy/atom
-42.71670
eV/atom
Energy above Hull
0.0400
eV/atom
Uncorrected Energy
-7.4336
eV/atom
Volume/atom
21.04
ų
c/a Ratio
0.5747
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.3657
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.033620
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
U · 0.333
Element Family
Actinide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
2.2077
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.184%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3682
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
5.616
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1091404
Reference Citation
The crystal structure and related material properties of UInRh were obtained from the Materials Project database (MP-ID: mp-1091404, 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_UInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24622394
_cell_length_b 7.24622394
_cell_length_c 4.16436000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999948
_symmetry_Int_Tables_number 1
_chemical_formula_structural UInRh
_chemical_formula_sum 'U3 In3 Rh3'
_cell_volume 189.36617355
_cell_formula_units_Z 3
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 0.41802500 0.41802500 0.50000000 1.0
U U1 1 0.58197500 0.00000000 0.50000000 1.0
U U2 1 0.00000000 0.58197500 0.50000000 1.0
In In3 1 0.75325700 0.75325700 0.00000000 1.0
In In4 1 0.24674300 0.00000000 0.00000000 1.0
In In5 1 0.00000000 0.24674300 0.00000000 1.0
Rh Rh6 1 0.66666700 0.33333300 0.00000000 1.0
Rh Rh7 1 0.33333300 0.66666700 0.00000000 1.0
Rh Rh8 1 0.00000000 0.00000000 0.50000000 1.0
