UCu2Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080074 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

UCu2Sn

MP-ID

mp-1080074

Elements

Sites

Density

10.5721

g/cm³

Volume

151.99

Å³

Cell a

4.7047

Cell b

4.7047

Cell c

7.9291

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
21.81	4.0744	15.2	(1,0,-1,0)
22.43	3.9646	10.8	(0,0,0,2)
24.56	3.6239	2.6	(1,0,-1,1)
31.49	2.8414	100.0	(1,0,-1,2)
38.26	2.3523	98.2	(2,-1,-1,0)
40.69	2.2174	32.7	(1,0,-1,3)
44.47	2.0372	2.6	(2,0,-2,0)
44.80	2.0230	10.9	(2,-1,-1,2)
45.77	1.9823	4.6	(0,0,0,4)
50.36	1.8120	27.9	(2,0,-2,2)
51.25	1.7825	18.2	(1,0,-1,4)
57.08	1.6135	11.8	(2,0,-2,3)
60.08	1.5400	2.4	(3,-1,-2,0)
61.14	1.5158	12.5	(2,-1,-1,4)
62.89	1.4778	2.7	(1,0,-1,5)
64.97	1.4355	27.1	(3,-1,-2,2)
65.73	1.4207	8.7	(2,0,-2,4)
69.17	1.3581	17.4	(3,0,-3,0)
70.81	1.3306	12.3	(3,-1,-2,3)
73.74	1.2848	2.5	(3,0,-3,2)
75.65	1.2571	13.6	(1,0,-1,6)
76.06	1.2514	1.6	(2,0,-2,5)
78.68	1.2161	10.6	(3,-1,-2,4)
81.91	1.1762	11.2	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

0.19260

eV/atom

Energy/atom

-5.68225

eV/atom

Energy above Hull

0.2378

eV/atom

Uncorrected Energy

-5.6823

eV/atom

Volume/atom

19.00

Å³

c/a Ratio

1.6854

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0327

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.033110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

2.4995

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.367%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2351

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.475

Family

Cu-based Alloy

Matrix Element

Cu · 0.500

Related Tasks

Related computation task IDs (5)

aaadmmop aaadspmv aaaefjhv aaaeunau aaafxcxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080074

Reference Citation

The crystal structure and related material properties of UCu2Sn were obtained from the Materials Project database (MP-ID: mp-1080074, 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_UCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70465993
_cell_length_b   4.70465993
_cell_length_c   7.92911100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCu2Sn
_chemical_formula_sum   'U2 Cu4 Sn2'
_cell_volume   151.98880735
_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  0.00000000  0.00000000  0.50000000  1.0
  U  U1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.89687900  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.10312100  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.39687900  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.60312100  1.0
  Sn  Sn6  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn7  1  0.66666700  0.33333300  0.75000000  1.0

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