Gap Type - Space Group - Deep Learning

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Use this model created via deep learning for fast and accurate predictions of a material's gap type using stoichiometry and space group.

Load example values into the form.

Try it Yourself

Enter the corresponding values to try the approximation for yourself.

Stoichiometry

Specify the full stoichiometry

Space Group

** Use of this web page reqiures correct Citing and attribution in any or all work and/or papers produced from results generated by this service.

API

You can access the single-attribute band gap predictor here:

URL format: /api/v{Version}/MachineLearning/GapType/SpaceGroup

POST

{
    "spaceGroup": 129,
    "stoichiometry": "Ag10O8P2Te2"
}

JSON - response

{
    "halfMetal": 0.0000000001208971313097922044;
    "insulatorDirect": 0.0276288844767050804013304393;
    "insulatorDirectSpinPolarised": 0.000000000000000000333201382;
    "insulatorIndirect": 0.972054870642805564504263858;
    "insulatorIndirectSpinPolarised": 0.0000000000001151086947130958;
    "metal": 0.0003162447594771147566990205;
    "spaceGroup": 129,
    "stoichiometry": "Ag10O8P2Te2"
}

XML - response

<GapTypeSpaceGroupModel xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema">
    <HalfMetal>0.0000000001208971313097922044</HalfMetal>
    <InsulatorDirect>0.0276288844767050804013304393</InsulatorDirect>
    <InsulatorDirectSpinPolarised>0.000000000000000000333S201382</InsulatorDirectSpinPolarised>
    <InsulatorIndirect>0.972054870642805564504263858</InsulatorIndirect>
    <InsulatorIndirectSpinPolarised>0.0000000000001151086947130958</InsulatorIndirectSpinPolarised>
    <Metal>0.0003162447594771147566990205</Metal>
    <SpaceGroup>129</SpaceGroup>
    <Stoichiometry>Cr4Cu1In1Se8</Stoichiometry>
</GapTypeSpaceGroupModel>

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Gap Type - Space Group - Deep Learning

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