Navigation

HEAS Data Platform · Materials Science Database

InGaO3

Elasticity Data ELA

MP-ID: mp-8098 · Space group: P6_3/mmc (#194)

Basic Information

Formula
InGaO3
MP-ID
mp-8098
Elements
3
Sites
10
Density
6.6664
g/cm³
Volume
115.85
ų
Cell a
3.3296
Å
Cell b
3.3296
Å
Cell c
12.0661
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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
14.68 6.0330 20.6 (0,0,0,2)
29.61 3.0165 78.7 (0,0,0,4)
31.01 2.8835 12.8 (1,0,-1,0)
31.01 2.8835 25.5 (1,-1,0,0)
31.91 2.8046 69.2 (1,0,-1,1)
34.47 2.6016 50.0 (1,0,-1,2)
34.47 2.6016 100.0 (1,-1,0,2)
38.41 2.3435 8.5 (1,0,-1,3)
43.41 2.0844 51.2 (1,0,-1,4)
49.24 1.8506 17.3 (1,0,-1,5)
55.17 1.6648 40.5 (2,-1,-1,0)
55.17 1.6648 20.3 (1,-2,1,0)
55.73 1.6495 51.3 (1,0,-1,6)
57.42 1.6048 3.5 (2,-1,-1,2)
61.48 1.5083 10.2 (0,0,0,8)
62.81 1.4795 3.1 (1,0,-1,7)
62.81 1.4795 6.2 (1,-1,0,7)
63.86 1.4576 33.6 (2,-1,-1,4)
63.86 1.4576 16.8 (1,-2,1,4)
64.65 1.4418 1.5 (2,0,-2,0)
64.65 1.4418 2.9 (2,-2,0,0)
65.16 1.4316 2.5 (2,0,-2,1)
65.16 1.4316 5.1 (2,-2,0,1)
66.70 1.4023 7.6 (2,0,-2,2)
Get direct link

Energy Properties

Formation Energy/atom
-2.12953
eV/atom
Energy/atom
-6.25576
eV/atom
Energy above Hull
0.0020
eV/atom
Uncorrected Energy
-12.3643
eV/atom
Volume/atom
11.58
ų
c/a Ratio
3.6239

Electronic Properties

Metallic
Non-metal
Band Gap
1.329
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
168.242
GPa
GVRH
74.360
GPa
Young's Modulus E
194.434
GPa
Poisson Ratio ν
0.307
Pugh Ratio K/G
2.263
Vickers Hardness Est.
6.569
GPa
Ductility
Brittle
Anisotropy
0.110
Lame λ
118.669
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1100
Homogeneous Poisson ν
0.3070
Debye Temperature
530.5
K
Sound Velocity
3,734.0
m/s
Homogeneity
0.3070

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8098
Reference Citation

The crystal structure and related material properties of InGaO3 were obtained from the Materials Project database (MP-ID: mp-8098, 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_InGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32960934
_cell_length_b   3.32960884
_cell_length_c   12.06608203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaO3
_chemical_formula_sum   'In2 Ga2 O6'
_cell_volume   115.84663499
_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
  In  In0  1  -0.00000000  0.00000000  0.50000000  1.0
  In  In1  1  -0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga2  1  0.66666700  0.33333300  0.75000000  1.0
  Ga  Ga3  1  0.33333300  0.66666700  0.25000000  1.0
  O  O4  1  0.33333300  0.66666700  0.41255627  1.0
  O  O5  1  0.66666700  0.33333300  0.91255627  1.0
  O  O6  1  0.66666700  0.33333300  0.58744373  1.0
  O  O7  1  0.33333300  0.66666700  0.08744373  1.0
  O  O8  1  -0.00000000  -0.00000000  0.25000000  1.0
  O  O9  1  -0.00000000  0.00000000  0.75000000  1.0
Get direct link