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InAgO2

Elasticity Data ELA

MP-ID: mp-22660 · Space group: R-3m (#166)

Basic Information

Formula
InAgO2
MP-ID
mp-22660
Elements
3
Sites
4
Density
7.1457
g/cm³
Volume
59.18
ų
Cell a
6.5978
Å
Cell b
6.5978
Å
Cell c
6.5978
Å
α Angle
28.86
°
β Angle
28.86
°
γ Angle
28.86
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
14.02 6.3186 3.4 (1,1,1)
28.25 3.1593 59.2 (2,2,2)
32.83 2.7276 50.0 (1,0,1)
32.83 2.7276 100.0 (1,1,0)
36.82 2.4412 25.9 (1,2,1)
36.82 2.4412 25.9 (2,1,1)
36.82 2.4412 25.9 (1,1,2)
50.08 1.8215 16.6 (3,2,3)
50.08 1.8215 16.6 (3,3,2)
50.08 1.8215 16.6 (2,3,3)
55.92 1.6444 12.4 (1,-1,0)
55.92 1.6444 12.4 (0,1,-1)
55.92 1.6444 12.4 (1,0,-1)
58.42 1.5797 7.7 (4,4,4)
58.49 1.5780 10.3 (3,4,3)
58.49 1.5780 10.3 (4,3,3)
58.49 1.5780 10.3 (3,3,4)
63.81 1.4586 5.7 (3,1,2)
63.81 1.4586 11.4 (2,3,1)
63.81 1.4586 5.7 (2,1,3)
63.81 1.4586 5.7 (3,2,1)
63.81 1.4586 5.7 (1,2,3)
66.38 1.4083 6.0 (0,2,0)
66.38 1.4083 6.0 (2,0,0)
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Energy Properties

Formation Energy/atom
-1.39217
eV/atom
Energy/atom
-5.26667
eV/atom
Energy above Hull
0.0003
eV/atom
Uncorrected Energy
-15.2222
eV/atom
Volume/atom
14.80
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
0.218
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
107.674
GPa
GVRH
28.665
GPa
Young's Modulus E
78.986
GPa
Poisson Ratio ν
0.378
Pugh Ratio K/G
3.756
Vickers Hardness Est.
0.028
GPa
Ductility
Brittle
Anisotropy
4.116
Lame λ
88.564
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.1160
Homogeneous Poisson ν
0.3780
Debye Temperature
286.6
K
Sound Velocity
2,260.4
m/s
Homogeneity
0.3780

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-22660
Reference Citation

The crystal structure and related material properties of InAgO2 were obtained from the Materials Project database (MP-ID: mp-22660, 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_InAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59775548
_cell_length_b   6.59775551
_cell_length_c   6.59775456
_cell_angle_alpha   28.86403642
_cell_angle_beta   28.86401936
_cell_angle_gamma   28.86403878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgO2
_chemical_formula_sum   'In1 Ag1 O2'
_cell_volume   59.18484586
_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
  In  In0  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag1  1  0.00000000  -0.00000000  -0.00000000  1.0
  O  O2  1  0.89017746  0.89017746  0.89017746  1.0
  O  O3  1  0.10982254  0.10982254  0.10982254  1.0
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