Navigation

HEAS Data Platform · Materials Science Database

CdIn2O4

Elasticity Data ELA

MP-ID: mp-675464 · Space group: Imma (#74)

Basic Information

Formula
CdIn2O4
MP-ID
mp-675464
Elements
3
Sites
14
Density
6.6920
g/cm³
Volume
201.51
ų
Cell a
6.5838
Å
Cell b
6.5838
Å
Cell c
6.5838
Å
α Angle
121.00
°
β Angle
119.15
°
γ Angle
89.88
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.34 5.4234 5.3 (1,0,0)
16.66 5.3228 13.7 (0,1,0)
26.74 3.3343 13.3 (1,-1,1)
27.09 3.2913 52.6 (1,1,0)
27.51 3.2421 13.4 (1,-1,-1)
31.67 2.8257 97.8 (1,0,1)
31.77 2.8162 44.2 (2,1,-1)
31.94 2.8018 53.9 (1,2,-1)
32.17 2.7828 100.0 (0,1,1)
33.03 2.7117 36.4 (2,0,0)
33.68 2.6614 25.8 (0,2,0)
38.64 2.3301 12.2 (2,2,-2)
38.74 2.3244 23.8 (0,0,2)
42.52 2.1261 2.5 (1,2,0)
47.43 1.9167 11.0 (2,0,1)
47.61 1.9100 5.3 (3,1,-1)
48.09 1.8921 5.0 (1,3,-1)
48.39 1.8811 10.5 (0,2,1)
50.48 1.8078 11.2 (3,0,0)
50.75 1.7989 27.7 (1,0,2)
50.86 1.7953 15.3 (3,2,-2)
50.97 1.7915 12.1 (2,3,-2)
51.32 1.7803 28.0 (0,1,2)
51.51 1.7743 11.9 (0,3,0)
Get direct link

Energy Properties

Formation Energy/atom
-1.76422
eV/atom
Energy/atom
-5.51711
eV/atom
Energy above Hull
0.0778
eV/atom
Uncorrected Energy
-5.1245
eV/atom
Volume/atom
14.39
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.001
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0009
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
132.026
GPa
GVRH
41.566
GPa
Young's Modulus E
112.855
GPa
Poisson Ratio ν
0.358
Pugh Ratio K/G
3.176
Vickers Hardness Est.
1.579
GPa
Ductility
Brittle
Anisotropy
0.583
Lame λ
104.315
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5830
Homogeneous Poisson ν
0.3580
Debye Temperature
363.4
K
Sound Velocity
2,804.9
m/s
Homogeneity
0.3580

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-675464
Reference Citation

The crystal structure and related material properties of CdIn2O4 were obtained from the Materials Project database (MP-ID: mp-675464, 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_CdIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58383083
_cell_length_b   6.58383083
_cell_length_c   6.58383083
_cell_angle_alpha   120.99928837
_cell_angle_beta   119.14600652
_cell_angle_gamma   89.88172647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2O4
_chemical_formula_sum   'Cd2 In4 O8'
_cell_volume   201.51178639
_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
  Cd  Cd0  1  0.50000000  0.00000000  0.00000000  1.0
  Cd  Cd1  1  0.50000000  0.50000000  0.50000000  1.0
  In  In2  1  0.88357200  0.13357200  0.75000000  1.0
  In  In3  1  0.11642800  0.86642800  0.25000000  1.0
  In  In4  1  0.50000000  0.50000000  0.00000000  1.0
  In  In5  1  0.00000000  0.50000000  0.50000000  1.0
  O  O6  1  0.24800000  0.72885200  0.98085200  1.0
  O  O7  1  0.24800000  0.26714800  0.51914800  1.0
  O  O8  1  0.72993600  0.73473700  0.99519900  1.0
  O  O9  1  0.23953800  0.73473700  0.50480100  1.0
  O  O10  1  0.76046200  0.26526300  0.49519900  1.0
  O  O11  1  0.27006400  0.26526300  0.00480100  1.0
  O  O12  1  0.75200000  0.73285200  0.48085200  1.0
  O  O13  1  0.75200000  0.27114800  0.01914800  1.0
Get direct link