Properties field

The properties field contains the properties returned by the process.

Experimental properties

The experimental properties supported are:

Field name	Type	Description
cte	Float	Coefficient of thermal expansion (°C-1)
young_module	Float	Young’s modulus (dyne/cm2)
trasmittance	Float	Trasmittance in percentage (%)
reflectance	Float	Reflectance in percentage (%)
workfunction	Float	Workfunction in (eV)
resistivity	Float	Resistivity in (ohm)
plasma_characteristics	Array of Float	(I,V,W)
weight	Float	Weight in (g)
density	Float	Density in (g/cm3)
corona_treatment	Float	Corona treatment in (W)
viscosity	Float	Viscosity in (mPas)
layer_conductivity	Float	Layer conductivity in (S/cm2)
purity	Float	Purity in (wt.%)
ionic_conductivity	Float	Ionic conductivity in (mS cm2)
thermal_stability	Float	Thermal stability in (°C)
electrochemical_stability	Float	Electrochemical stability in (V)
photoluminescence_quantum yield	Float	Photoluminescence quantum yield in (%)
raman_analysis	Float Bi-dimensional	Chemical bonds/Intensity of ligh as a function of Raman shift
ftir_analysis	Float Bi-dimensional	Chemical bonds/intensity of ligh as a function of light frequency
x-ray_diffraction	Float Bi-dimensional	Semi-quantitative recognition of crystallographic phases and crystallite size/Intensity as a function of the diffracted angle
afm	Float Bi-dimensional	Surface morphology/ Height profile as a function of the position
dinamic_light_scatytering	Float Bi-dimensional	Particle size dimension distribution/ Number of particles as a function of particle size

Computational properties

The computational properties supported are:

Field name	Type	Description
energy_gap	Float	Energy gap in (eV)
total_energy	Float	Total energy in (eV)
formation_energy_per_atom	Float	Formation energy in (eV)
redox_potential	Float	Redox (intercalation) potential in (V)
volume	Float	volume in (mm3)

Example

If you need to upload an experimental process data with energy gap, annealing temperature and time as properties, you have to insert the following metadata:

{
  "properties": [
    {
      "name": "annealing_temperature",
      "value": 50
    },
    {
      "name": "annealing_time",
      "value": 120
    },
    {
      "name": "energy_gap",
      "value": 1.60
    }
  ]
}

If you need to upload a Quantum Espresso properties, then:

{
  "properties":[
    {
      "name": "total_energy",
      "value": -106845.63979092
    },
    {
      "name": "volume",
      "value": 1037.2723079868
    },
    {
      "name": "formation_energy_per_atom",
      "value": -1.654192855
    }
  ]
}