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7mo
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tree-gen-15-v04.cif - relaxed

    Get basic structural information from a CIF file

    file.cif→JSON
    9mo

    Calculate phonon dispersion and return band structure plot

    file.cif→file.png
    8mo

    Calculate the estimated raw material cost per kg

    file.cif→JSON
    8mo

    Relax a crystal structure with animation

    file.cif→file.mp4
    7mo

    Analyze Structure

    file→JSON
    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
    7mo

    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
    8mo

    Calculate IR Spectrum

    file→JSON
    8mo

    Create a supercell from a material

    file.cif→file.cif
    10mo

    Calculate Thermochemistry

    file→JSON
    8mo
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1.45 KB
.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.0074 eV; energy change = 0.0000 eV; symmetry: I4/mmm → I4/mmm

Relax a crystal structure
    1 input asset
    • tree-gen-15-v04.cif

      .cif

      Crystal structure generated by TreeQuest optimization (file 15)

      7mo
    1 derivative asset
    • FeCoB2 phase diagram 1

      .html

      Phase diagram of FeCoB2; eabovehull: 2.109449 eV/atom; predicted_stable: False

      7mo
ARR license