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Li2AgSb

Elasticity Data ELA

MP-ID: mp-16238 · Space group: F-43m (#216)

Basic Information

Formula
Li2AgSb
MP-ID
mp-16238
Elements
3
Sites
4
Density
5.6086
g/cm³
Volume
72.10
ų
Cell a
4.6717
Å
Cell b
4.6717
Å
Cell c
4.6717
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 23)
2θd (Å)Ihkl
23.32 3.8144 62.8 (1,0,0)
23.32 3.8144 62.8 (0,1,0)
38.54 2.3359 100.0 (1,0,-1)
38.54 2.3359 20.0 (1,2,1)
45.54 1.9920 15.5 (1,-1,-1)
45.54 1.9920 46.4 (2,1,0)
55.65 1.6517 19.9 (2,2,0)
61.14 1.5157 6.2 (2,0,-1)
61.14 1.5157 14.5 (3,1,1)
61.14 1.5157 4.1 (1,3,1)
69.73 1.3486 6.6 (2,-1,-1)
69.73 1.3486 19.8 (3,1,0)
69.73 1.3486 13.2 (1,3,0)
74.65 1.2715 4.6 (3,0,0)
74.65 1.2715 9.1 (3,2,0)
74.65 1.2715 4.6 (0,3,0)
82.61 1.1679 4.2 (2,0,-2)
82.61 1.1679 6.3 (4,2,2)
82.61 1.1679 2.1 (2,4,2)
87.31 1.1168 1.6 (2,-1,-2)
87.31 1.1168 8.7 (2,1,-2)
87.31 1.1168 5.5 (4,2,1)
87.31 1.1168 3.1 (2,4,1)
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Energy Properties

Formation Energy/atom
-0.51815
eV/atom
Energy/atom
-13.47705
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.4771
eV/atom
Volume/atom
18.02
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.148
eV
Direct Gap
Yes
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
46.551
GPa
GVRH
20.639
GPa
Young's Modulus E
53.945
GPa
Poisson Ratio ν
0.307
Pugh Ratio K/G
2.255
Vickers Hardness Est.
1.538
GPa
Ductility
Brittle
Anisotropy
8.344
Lame λ
32.792
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Li · 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
8.3440
Homogeneous Poisson ν
0.3070
Debye Temperature
243.5
K
Sound Velocity
2,144.6
m/s
Homogeneity
0.3070

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16238
Reference Citation

The crystal structure and related material properties of Li2AgSb were obtained from the Materials Project database (MP-ID: mp-16238, 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_Li2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67170351
_cell_length_b   4.67170292
_cell_length_c   4.67170369
_cell_angle_alpha   60.00000176
_cell_angle_beta   60.00000601
_cell_angle_gamma   60.00000821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AgSb
_chemical_formula_sum   'Li2 Ag1 Sb1'
_cell_volume   72.09594426
_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
  Li  Li0  1  0.25000000  0.25000000  0.25000000  1.0
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag2  1  0.75000000  0.75000000  0.75000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  -0.00000000  1.0
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