Navigation

HEAS Data Platform · Materials Science Database

Sm(AgGe)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-972680 · Space group: I4/mmm (#139)

Basic Information

Formula
Sm(AgGe)2
MP-ID
mp-972680
Elements
3
Sites
5
Density
8.5004
g/cm³
Volume
99.90
ų
Cell a
6.3102
Å
Cell b
6.3102
Å
Cell c
6.3102
Å
α Angle
140.72
°
β Angle
140.72
°
γ Angle
56.76
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.96 5.5518 2.1 (1,1,-1)
22.44 3.9626 1.8 (1,0,-1)
29.79 2.9995 2.4 (1,-1,0)
32.09 2.7888 34.0 (2,1,-2)
32.25 2.7759 9.8 (2,2,-2)
33.97 2.6390 100.0 (2,0,-1)
42.63 2.1210 44.4 (1,-1,1)
44.47 2.0373 12.8 (3,1,-2)
46.14 1.9674 22.3 (3,2,-3)
49.24 1.8506 1.3 (3,3,-3)
54.34 1.6882 15.2 (3,0,-2)
54.44 1.6853 8.5 (3,1,-3)
58.61 1.5750 10.0 (4,2,-3)
61.87 1.4997 14.2 (2,-2,0)
62.51 1.4857 2.0 (4,3,-4)
64.62 1.4424 16.1 (4,1,-3)
67.13 1.3944 1.9 (4,2,-4)
67.48 1.3879 4.5 (4,4,-4)
71.42 1.3209 3.3 (3,0,-3)
71.50 1.3195 3.7 (4,0,-2)
72.49 1.3039 20.9 (3,-1,-2)
78.62 1.2169 2.1 (5,2,-4)
79.33 1.2078 4.2 (4,0,-3)
80.54 1.1927 4.3 (4,1,-4)
Get direct link

Energy Properties

Formation Energy/atom
-0.39843
eV/atom
Energy/atom
-4.32854
eV/atom
Energy above Hull
0.0018
eV/atom
Uncorrected Energy
-20.4869
eV/atom
Volume/atom
19.98
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
83.302
GPa
GVRH
41.540
GPa
Young's Modulus E
106.858
GPa
Poisson Ratio ν
0.286
Pugh Ratio K/G
2.005
Vickers Hardness Est.
4.839
GPa
Ductility
Brittle
Anisotropy
0.131
Lame λ
55.609
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.400
Element Family
4d-TM
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
1.3422
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.155%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3220
smaller = more stable mixing
VEC
7.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.152
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.605
Family
Ag-rich Multi-Component
Matrix Element
Ag · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1310
Homogeneous Poisson ν
0.2860
Debye Temperature
303.7
K
Sound Velocity
2,464.9
m/s
Homogeneity
0.2860

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-972680
Reference Citation

The crystal structure and related material properties of Sm(AgGe)2 were obtained from the Materials Project database (MP-ID: mp-972680, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sm(AgGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31021728
_cell_length_b   6.31021728
_cell_length_c   6.31021728
_cell_angle_alpha   140.71953883
_cell_angle_beta   140.71953883
_cell_angle_gamma   56.76239386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm(AgGe)2
_chemical_formula_sum   'Sm1 Ag2 Ge2'
_cell_volume   99.89636399
_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
  Ag  Ag1  1  0.25000000  0.74999900  0.49999900  1.0
  Ag  Ag2  1  0.74999900  0.25000000  0.49999900  1.0
  Ge  Ge3  1  0.39120635  0.39120635  -0.00000000  1.0
  Ge  Ge4  1  0.60879365  0.60879365  0.00000000  1.0
Get direct link