Sr2UNi
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1064703 · Space group: Fm-3m (#225)
Basic Information
Formula
Sr2UNi
MP-ID
mp-1064703
Elements
3
Sites
4
Density
6.2077
g/cm³
Volume
126.25
ų
Cell a
5.6309
Å
Cell b
5.6309
Å
Cell c
5.6309
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.31 | 4.5976 | 25.3 | (1,0,0) |
| 22.33 | 3.9817 | 7.0 | (1,1,0) |
| 31.78 | 2.8155 | 100.0 | (2,1,1) |
| 37.46 | 2.4010 | 15.4 | (2,1,0) |
| 39.19 | 2.2988 | 2.3 | (2,0,0) |
| 45.57 | 1.9908 | 18.4 | (2,2,0) |
| 49.92 | 1.8269 | 7.1 | (3,2,2) |
| 51.31 | 1.7807 | 3.3 | (3,2,1) |
| 56.62 | 1.6255 | 38.7 | (3,3,2) |
| 60.40 | 1.5326 | 5.6 | (3,3,3) |
| 66.41 | 1.4077 | 12.1 | (4,2,2) |
| 69.88 | 1.3461 | 5.7 | (4,3,2) |
| 71.02 | 1.3272 | 1.7 | (4,3,3) |
| 75.51 | 1.2591 | 16.9 | (4,3,1) |
| 78.81 | 1.2144 | 2.2 | (4,4,3) |
| 79.91 | 1.2005 | 1.0 | (4,2,0) |
| 84.24 | 1.1494 | 4.3 | (4,0,0) |
| 87.47 | 1.1151 | 3.5 | (5,3,3) |
Energy Properties
Formation Energy/atom
1.10833
eV/atom
Energy/atom
-4.00577
eV/atom
Energy above Hull
1.2142
eV/atom
Uncorrected Energy
-4.0058
eV/atom
Volume/atom
31.56
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.0977
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.032460
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.500
Element Family
Alkali-AlkEarth
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
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.755%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3948
smaller = more stable mixing
VEC
4.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.269
Family
Sr-rich Multi-Component
Matrix Element
Sr · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1064703
Reference Citation
The crystal structure and related material properties of Sr2UNi were obtained from the Materials Project database (MP-ID: mp-1064703, 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_Sr2UNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63093030
_cell_length_b 5.63093030
_cell_length_c 5.63093030
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2UNi
_chemical_formula_sum 'Sr2 U1 Ni1'
_cell_volume 126.24827629
_cell_formula_units_Z 1
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
Sr Sr0 1 0.25000000 0.25000000 0.25000000 1.0
Sr Sr1 1 0.75000000 0.75000000 0.75000000 1.0
U U2 1 0.00000000 0.00000000 0.00000000 1.0
Ni Ni3 1 0.50000000 0.50000000 0.50000000 1.0
