Parameters field

The parameters field contains the parameters that acted on the process.

Experimental parameters

The experimental parameters supported are:

Field name	Type	Description
temperature	Float	Temperature in (°C) as unit
pressure	Float	Pressure in (mbar) as unit
flow	Float	Flow in (ml) as unit
wavelength	Float	Wavelenght in (nm) as unit
frequency	Float	Frequency in (Hz) as unit
current	Float	Elettrical current in Ampere (A) as unit
printing force	Float	Printing force in Newton (N) as unit
printing speed	Float	Printing speed in (m/min) as unit
precursor materials	Array	List of precursor materials
precursor details	String	Details of precursor material
antisolvent	String	Antisolvent
solvents	String	Solvents
solution details	String	Details of solution
relevant fabrication parameters	String
experimental conditions	String
film appearance	String

Computational parameters

The computational parameters supported are:

Field name	Type	Description
calculation	String	Type of calculation (scf, vc-relax, …)
exchange_correlation	String	Exchange correlation, such as ‘pbe’.

Example

If you need to upload an experimental process data using precursor materials, solvents, antisolvent, solution details, experimental conditions, film appearance and relevant fabrication parameters, you have to insert the following metadata:

{
  "parameters":[
    {
      "name": "precursor_materials",
      "value": ["MAI", "Pbl2"]
    },
    {
      "name": "precursor_details",
      "value": "freshly prepared"
    },
    {
      "name": "antisolvent",
      "value": "Diethyl Ether"
    },
    {
      "name": "solvents",
      "value": "DMF:DMSO (9:1)"
    },
    {
      "name": "solution details",
      "value": 1.40
    },
    {
      "name": "relevant_fabrication_parameters",
      "value": "1000 rpm-200rpm/s-10s"
    },
    {
      "name": "experimental_conditions",
      "value": "deposition in air"
    },
    {
      "name": "film_appearance",
      "value": "Shining dark brown film"
    }
  ]
}

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

{
  "parameters":{
     "calculation": "vc-relax",
     "exchange_correlation": "pbe"
  }
}