Cd15InO16

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292699 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Cd15InO16

MP-ID

mp-3292699

Elements

Sites

Density

8.0634

g/cm³

Volume

423.60

Å³

Cell a

9.4735

Cell b

9.4735

Cell c

4.7199

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 10)

2θ	d (Å)	I	hkl
32.79	2.7315	100.0	(2,2,1)
37.99	2.3684	59.4	(4,0,0)
38.13	2.3600	29.5	(0,0,2)
54.82	1.6747	18.9	(4,4,0)
54.92	1.6717	37.8	(4,0,2)
65.36	1.4277	27.5	(6,2,1)
65.55	1.4240	13.5	(2,2,3)
68.73	1.3658	18.2	(4,4,2)
81.24	1.1842	5.6	(8,0,0)
81.59	1.1800	2.8	(0,0,4)

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Energy Properties

Formation Energy/atom

-1.27305

eV/atom

Energy/atom

-14.38911

eV/atom

Energy above Hull

0.0008

eV/atom

Uncorrected Energy

-14.3891

eV/atom

Volume/atom

13.24

Å³

c/a Ratio

0.4982

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0051

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

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

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8100

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7347

J/mol·K

Ω Parameter

3.1931

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

43.473%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8723

smaller = more stable mixing

VEC

7.719

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.674

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7373

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.510

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (1)

aaahfiwh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292699

Reference Citation

The crystal structure and related material properties of Cd15InO16 were obtained from the Materials Project database (MP-ID: mp-3292699, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Cd15InO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47353417
_cell_length_b   9.47353417
_cell_length_c   4.71991448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd15InO16
_chemical_formula_sum   'Cd15 In1 O16'
_cell_volume   423.60217585
_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
  Cd  Cd0  1  0.50000000  0.00000000  0.00000000  1.0
  Cd  Cd1  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd2  1  0.25223704  0.00000000  0.50000000  1.0
  Cd  Cd3  1  0.74776296  0.00000000  0.50000000  1.0
  Cd  Cd4  1  0.25065661  0.50000000  0.50000000  1.0
  Cd  Cd5  1  0.74934339  0.50000000  0.50000000  1.0
  Cd  Cd6  1  0.00000000  0.25223704  0.50000000  1.0
  Cd  Cd7  1  0.50000000  0.25065661  0.50000000  1.0
  Cd  Cd8  1  0.00000000  0.74776296  0.50000000  1.0
  Cd  Cd9  1  0.50000000  0.74934339  0.50000000  1.0
  Cd  Cd10  1  0.25125853  0.25125853  0.00000000  1.0
  Cd  Cd11  1  0.74874147  0.25125853  0.00000000  1.0
  Cd  Cd12  1  0.25125853  0.74874147  0.00000000  1.0
  Cd  Cd13  1  0.74874147  0.74874147  0.00000000  1.0
  Cd  Cd14  1  0.50000000  0.50000000  0.00000000  1.0
  In  In15  1  0.00000000  0.00000000  0.00000000  1.0
  O  O16  1  0.00000000  0.23219275  0.00000000  1.0
  O  O17  1  0.50000000  0.24559475  0.00000000  1.0
  O  O18  1  0.00000000  0.76780725  0.00000000  1.0
  O  O19  1  0.50000000  0.75440525  0.00000000  1.0
  O  O20  1  0.24931277  0.24931277  0.50000000  1.0
  O  O21  1  0.75068723  0.24931277  0.50000000  1.0
  O  O22  1  0.24931277  0.75068723  0.50000000  1.0
  O  O23  1  0.75068723  0.75068723  0.50000000  1.0
  O  O24  1  0.00000000  0.00000000  0.50000000  1.0
  O  O25  1  0.50000000  0.00000000  0.50000000  1.0
  O  O26  1  0.00000000  0.50000000  0.50000000  1.0
  O  O27  1  0.50000000  0.50000000  0.50000000  1.0
  O  O28  1  0.23219275  0.00000000  0.00000000  1.0
  O  O29  1  0.76780725  0.00000000  0.00000000  1.0
  O  O30  1  0.24559475  0.50000000  0.00000000  1.0
  O  O31  1  0.75440525  0.50000000  0.00000000  1.0

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