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7mo
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FeBiS (P4/mmm)

    Get basic structural information from a CIF file

    file.cif→JSON
    9mo

    Calculate phonon dispersion and return band structure plot

    file.cif→file.png
    9mo

    Calculate the estimated raw material cost per kg

    file.cif→JSON
    8mo

    Relax a crystal structure with animation

    file.cif→file.mp4
    8mo

    Relax a crystal structure and create a post

    file.cif→post
    7mo

    Get a detailed description of a crystal structure

    file.cif→JSON
    7mo

    Relax a crystal structure

    file.cif→file.cif
    9mo

    Calculate magnetic anisotropy energy

    file.cif→JSON
    3mo

    Synthesis report from CIF file

    file.cif→file.html
    1mo

    Create interstitially doped structure

    file.cif→file.cif
    8mo

    Predict the Curie temperature of a material

    file.cif→JSON
    11mo

    Calculate magnetic saturation and related properties

    file.cif→JSON
    9mo

    Calculate energy above hull

    file.cif→file.html
    9mo

    Create a supercell from a material

    file.cif→file.cif
    11mo
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6 views
904 B
.cif file

FeBiS (auto-selected SG: Pmmm #47, calculated SG: P4/mmm #123, optimized: 13 steps, cell relaxed (isotropic))

Generate a crystal structure using GGen
ARR license