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K2AgSb

Elasticity Data ELA

MP-ID: mp-7643 · Space group: Cmcm (#63)

Basic Information

Formula
K2AgSb
MP-ID
mp-7643
Elements
3
Sites
8
Density
3.7185
g/cm³
Volume
274.92
ų
Cell a
6.2889
Å
Cell b
6.7014
Å
Cell c
6.7014
Å
α Angle
103.24
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.57 6.5234 56.4 (0,1,0)
16.88 5.2533 100.0 (0,1,-1)
19.61 4.5275 62.7 (1,1,0)
21.36 4.1608 1.7 (0,1,1)
25.67 3.4701 7.4 (1,1,1)
27.63 3.2280 40.2 (0,2,-1)
28.38 3.1444 6.8 (2,0,0)
30.88 2.8954 10.7 (1,2,0)
31.14 2.8718 89.5 (1,2,-1)
31.59 2.8325 52.9 (2,1,0)
33.21 2.6980 1.5 (2,1,-1)
33.41 2.6820 34.6 (0,2,1)
34.14 2.6266 20.3 (0,2,-2)
35.79 2.5086 57.9 (2,1,1)
36.42 2.4670 28.0 (1,2,1)
39.82 2.2638 62.2 (2,2,0)
40.03 2.2524 7.4 (2,2,-1)
41.53 2.1745 2.7 (0,3,0)
43.20 2.0943 2.6 (1,3,-1)
43.50 2.0804 6.6 (0,2,2)
44.06 2.0551 8.3 (1,3,0)
44.39 2.0406 2.0 (2,2,1)
44.47 2.0374 1.3 (0,2,-3)
44.47 2.0374 1.3 (0,3,-2)
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Energy Properties

Formation Energy/atom
-0.50246
eV/atom
Energy/atom
-15.27714
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.2771
eV/atom
Volume/atom
34.37
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.187
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
17.264
GPa
GVRH
9.354
GPa
Young's Modulus E
23.769
GPa
Poisson Ratio ν
0.271
Pugh Ratio K/G
1.846
Vickers Hardness Est.
0.611
GPa
Ductility
Brittle
Anisotropy
1.451
Lame λ
11.028
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4510
Homogeneous Poisson ν
0.2710
Debye Temperature
178.2
K
Sound Velocity
1,765.1
m/s
Homogeneity
0.2710

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7643
Reference Citation

The crystal structure and related material properties of K2AgSb were obtained from the Materials Project database (MP-ID: mp-7643, 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_K2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28888665
_cell_length_b   6.70144041
_cell_length_c   6.70144054
_cell_angle_alpha   103.23840551
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AgSb
_chemical_formula_sum   'K4 Ag2 Sb2'
_cell_volume   274.92413557
_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
  K  K0  1  0.25017325  0.67917210  0.02162552  1.0
  K  K1  1  0.75017325  0.32082790  0.97837448  1.0
  K  K2  1  0.24982675  0.02162552  0.67917210  1.0
  K  K3  1  0.74982675  0.97837448  0.32082790  1.0
  Ag  Ag4  1  -0.00000000  0.50005760  0.49994240  1.0
  Ag  Ag5  1  0.50000000  0.49994240  0.50005760  1.0
  Sb  Sb6  1  0.25000000  0.23628908  0.23628908  1.0
  Sb  Sb7  1  0.75000000  0.76371092  0.76371092  1.0
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