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1mo
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BiFe7Zr (I4mm)

    Calculate Thermochemistry

    file→JSON
    8mo

    Calculate IR Spectrum

    file→JSON
    8mo

    Analyze Structure

    file→JSON
    8mo

    Calculate energy above hull

    file.cif→file.html
    8mo

    Create interstitially doped structure

    file.cif→file.cif
    7mo

    Synthesis report from CIF file

    file.cif→file.html
    18d

    Calculate magnetic anisotropy energy

    file.cif→JSON
    2mo

    Relax a crystal structure

    file.cif→file.cif
    8mo

    Get a detailed description of a crystal structure

    file.cif→JSON
    7mo

    Relax a crystal structure and create a post

    file.cif→post
    6mo

    Relax a crystal structure with animation

    file.cif→file.mp4
    7mo

    Calculate phonon dispersion and return band structure plot

    file.cif→file.png
    8mo

    Create a supercell from a material

    file.cif→file.cif
    10mo

    Calculate magnetic saturation and related properties

    file.cif→JSON
    8mo

    Predict the Curie temperature of a material

    file.cif→JSON
    10mo

    Calculate the estimated raw material cost per kg

    file.cif→JSON
    7mo

    Get basic structural information from a CIF file

    file.cif→JSON
    8mo
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1.12 KB
.cif file

132 meV above hull

    3 derivative assets
    • BiFe7Zr (I4mm) - phonon dispersion

      Image file

      Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.16 THz

      1mo
    • ZrFe7Bi phase diagram

      .html file

      Phase diagram of ZrFe7Bi; eabovehull: 0.179574 eV/atom; predicted_stable: False

      1mo
    • BiFe7Zr (I4mm) - 2x2x2 supercell

      .cif file

      Supercell 2x2x2 of ZrFe7Bi (Space group: I4mm, 64 symmetry operations)

      1mo
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