Sr2UMn
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1066751 · Space group: Fm-3m (#225)
Basic Information
Formula
Sr2UMn
MP-ID
mp-1066751
Elements
3
Sites
4
Density
5.7001
g/cm³
Volume
136.40
ų
Cell a
5.7779
Å
Cell b
5.7779
Å
Cell c
5.7779
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 |
|---|---|---|---|
| 18.81 | 4.7177 | 28.9 | (1,1,1) |
| 21.75 | 4.0856 | 6.1 | (1,1,0) |
| 30.95 | 2.8890 | 100.0 | (2,1,1) |
| 36.47 | 2.4637 | 17.9 | (2,2,1) |
| 38.15 | 2.3588 | 2.1 | (2,2,2) |
| 44.34 | 2.0428 | 18.6 | (2,2,0) |
| 48.57 | 1.8746 | 8.3 | (3,2,2) |
| 49.91 | 1.8271 | 3.0 | (3,2,1) |
| 55.06 | 1.6680 | 39.2 | (3,3,2) |
| 58.71 | 1.5726 | 6.6 | (3,3,3) |
| 64.51 | 1.4445 | 12.2 | (4,2,2) |
| 67.86 | 1.3812 | 6.7 | (4,3,2) |
| 68.95 | 1.3619 | 1.5 | (4,3,3) |
| 73.27 | 1.2920 | 17.0 | (4,3,1) |
| 76.44 | 1.2461 | 2.5 | (4,4,3) |
| 81.63 | 1.1794 | 4.3 | (4,4,4) |
| 84.72 | 1.1442 | 4.0 | (5,3,3) |
| 89.82 | 1.0919 | 21.4 | (5,4,3) |
Energy Properties
Formation Energy/atom
1.09838
eV/atom
Energy/atom
-4.86119
eV/atom
Energy above Hull
1.1157
eV/atom
Uncorrected Energy
-4.8612
eV/atom
Volume/atom
34.10
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
0.4760
μB
Mag. Ordering
FiM
Mag. Sites
2
Magnetization/Volume
0.003490
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
16.982%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2644
smaller = more stable mixing
VEC
3.667
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-1066751
Reference Citation
The crystal structure and related material properties of Sr2UMn were obtained from the Materials Project database (MP-ID: mp-1066751, 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_Sr2UMn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77793497
_cell_length_b 5.77793497
_cell_length_c 5.77793497
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2UMn
_chemical_formula_sum 'Sr2 U1 Mn1'
_cell_volume 136.39641369
_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 0.75000000 0.75000000 0.75000000 1.0
Sr Sr1 1 0.25000000 0.25000000 0.25000000 1.0
U U2 1 0.00000000 0.00000000 0.00000000 1.0
Mn Mn3 1 0.50000000 0.50000000 0.50000000 1.0
