U2SnRh2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-639876 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

U2SnRh2

MP-ID

mp-639876

Elements

Sites

Density

12.6042

g/cm³

Volume

210.95

Å³

Cell a

7.6018

Cell b

7.6018

Cell c

3.6504

α Angle

90.00

β Angle

90.00

γ Angle

90.01

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
16.49	5.3758	3.5	(1,-1,0)
16.49	5.3748	3.5	(1,1,0)
23.40	3.8009	16.3	(2,0,0)
24.38	3.6504	3.7	(0,0,1)
26.21	3.3999	13.7	(2,-1,0)
26.22	3.3994	13.7	(2,1,0)
29.58	3.0199	5.7	(1,-1,1)
29.58	3.0198	5.8	(1,1,1)
33.33	2.6879	9.4	(2,-2,0)
33.34	2.6874	9.4	(2,2,0)
34.05	2.6328	59.5	(2,0,1)
36.10	2.4879	100.0	(2,-1,1)
36.11	2.4877	100.0	(2,1,1)
37.41	2.4040	38.1	(3,-1,0)
37.41	2.4038	38.2	(3,1,0)
42.89	2.1085	3.2	(3,-2,0)
42.90	2.1082	3.2	(3,2,0)
47.86	1.9005	5.7	(4,0,0)
49.43	1.8438	9.7	(4,-1,0)
49.44	1.8436	9.6	(4,1,0)
49.97	1.8252	25.9	(0,0,2)
50.96	1.7919	8.9	(3,-3,0)
50.97	1.7916	8.9	(3,3,0)
53.94	1.6999	4.0	(4,-2,0)

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Energy Properties

Formation Energy/atom

-0.46635

eV/atom

Energy/atom

-8.73055

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.2261

eV/atom

Volume/atom

21.09

Å³

c/a Ratio

0.4802

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.5587

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.040570

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

U · 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

6.5031

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.957%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4058

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.101

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

U-rich Multi-Component

Matrix Element

U · 0.400

Related Tasks

Related computation task IDs (5)

aaadnayl aaadrehx aaaekuxh aaaetphz aaafiozk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-639876

Reference Citation

The crystal structure and related material properties of U2SnRh2 were obtained from the Materials Project database (MP-ID: mp-639876, 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_U2SnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60181076
_cell_length_b   7.60181076
_cell_length_c   3.65035938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01018522
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2SnRh2
_chemical_formula_sum   'U4 Sn2 Rh4'
_cell_volume   210.94523728
_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  0.32732154  0.17267846  0.50000000  1.0
  U  U1  1  0.67267846  0.82732154  0.50000000  1.0
  U  U2  1  0.17259111  0.67259111  0.50000000  1.0
  U  U3  1  0.82740889  0.32740889  0.50000000  1.0
  Sn  Sn4  1  -0.00000000  0.00000000  -0.00000000  1.0
  Sn  Sn5  1  0.50000000  0.50000000  -0.00000000  1.0
  Rh  Rh6  1  0.63569288  0.13569288  0.00000000  1.0
  Rh  Rh7  1  0.86432398  0.63567602  -0.00000000  1.0
  Rh  Rh8  1  0.36430712  0.86430712  0.00000000  1.0
  Rh  Rh9  1  0.13567602  0.36432398  -0.00000000  1.0

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