Sm2Ag2O5
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-978518 · Space group: P4/mmm (#123)
Basic Information
Formula
Sm2Ag2O5
MP-ID
mp-978518
Elements
3
Sites
9
Density
7.9650
g/cm³
Volume
124.35
ų
Cell a
4.1525
Å
Cell b
4.1525
Å
Cell c
7.2114
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 12.27 | 7.2114 | 6.7 | (0,0,1) |
| 21.40 | 4.1525 | 2.1 | (1,0,0) |
| 24.69 | 3.6057 | 1.4 | (0,0,2) |
| 24.74 | 3.5986 | 3.3 | (1,0,1) |
| 30.44 | 2.9363 | 65.8 | (1,1,0) |
| 32.90 | 2.7226 | 100.0 | (1,0,2) |
| 37.41 | 2.4038 | 5.2 | (0,0,3) |
| 39.58 | 2.2768 | 11.5 | (1,1,2) |
| 43.50 | 2.0804 | 9.4 | (1,0,3) |
| 43.59 | 2.0763 | 39.5 | (2,0,0) |
| 45.46 | 1.9952 | 1.0 | (2,0,1) |
| 48.97 | 1.8600 | 4.4 | (1,1,3) |
| 50.63 | 1.8029 | 5.6 | (0,0,4) |
| 50.74 | 1.7993 | 1.2 | (2,0,2) |
| 55.57 | 1.6537 | 6.3 | (1,0,4) |
| 55.67 | 1.6510 | 44.3 | (2,1,2) |
| 58.76 | 1.5713 | 4.9 | (2,0,3) |
| 60.24 | 1.5364 | 8.8 | (1,1,4) |
| 63.28 | 1.4696 | 5.7 | (2,1,3) |
| 63.35 | 1.4681 | 12.2 | (2,2,0) |
| 64.62 | 1.4423 | 1.0 | (0,0,5) |
| 68.92 | 1.3624 | 2.3 | (1,0,5) |
| 68.99 | 1.3613 | 8.4 | (2,0,4) |
| 71.90 | 1.3131 | 11.4 | (3,1,0) |
Energy Properties
Formation Energy/atom
-1.87239
eV/atom
Energy/atom
-6.30160
eV/atom
Energy above Hull
0.4698
eV/atom
Uncorrected Energy
-5.9199
eV/atom
Volume/atom
13.82
ų
c/a Ratio
1.7366
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
122.702
GPa
GVRH
-11.306
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
0.548
Pugh Ratio K/G
-10.853
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-7.719
Lame λ
130.239
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9950
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2727
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
50.444%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9727
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9057
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.303
Family
O-rich Multi-Component
Matrix Element
O · 0.556
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
-7.7190
Homogeneous Poisson ν
0.5480
Homogeneity
0.5480
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-978518
Reference Citation
The crystal structure and related material properties of Sm2Ag2O5 were obtained from the Materials Project database (MP-ID: mp-978518, 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_Sm2Ag2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15250300
_cell_length_b 4.15250300
_cell_length_c 7.21138000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2Ag2O5
_chemical_formula_sum 'Sm2 Ag2 O5'
_cell_volume 124.34785293
_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
Sm Sm0 1 0.00000000 0.00000000 0.00000000 1.0
Sm Sm1 1 0.00000000 0.00000000 0.50000000 1.0
Ag Ag2 1 0.50000000 0.50000000 0.19555700 1.0
Ag Ag3 1 0.50000000 0.50000000 0.80444300 1.0
O O4 1 0.50000000 0.00000000 0.21533300 1.0
O O5 1 0.50000000 0.00000000 0.78466700 1.0
O O6 1 0.50000000 0.50000000 0.50000000 1.0
O O7 1 0.00000000 0.50000000 0.21533300 1.0
O O8 1 0.00000000 0.50000000 0.78466700 1.0
