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6.68K files198 datasets127 services301 posts

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    6680 total

    Co17Fe (P-6m2) - phonon dispersion 2

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

    3mo

    Co17Fe (P-6m2) - phonon dispersion 1

    Image

    Phonon band structure (supercell [4, 4, 4], Δ=0.01 Å); imaginary modes detected; min freq = -8.08 THz

    3mo

    FeCo17 phase diagram

    .html

    Phase diagram of FeCo17; eabovehull: 0.009751 eV/atom; predicted_stable: True

    3mo

    Co17Fe (P-6m2) - phonon dispersion

    Image

    Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -6.30 THz

    3mo

    Co17Fe (P-6m2)

    .cif

    1meV above the hull

    3mo

    Fe12N2 phase diagram

    .html

    Phase diagram of Fe12N2; eabovehull: 0.030937 eV/atom; predicted_stable: False

    3mo

    Fe12N2 (I4_1/amd) - phonon dispersion

    Image

    Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.19 THz

    3mo

    Fe12N2 (I4_1/amd)

    .cif

    Never seen this space group before

    3mo

    Fe2N phase diagram

    .html

    Phase diagram of Fe2N; eabovehull: 0.090956 eV/atom; predicted_stable: False

    3mo

    Fe4N2 (P4/mmm) - 2x2x2 supercell

    .cif

    Supercell 2x2x2 of Fe2N (Space group: P4/mmm, 128 symmetry operations)

    3mo

    Fe4N2 (P4/mmm) - phonon dispersion

    Image

    Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

    3mo

    Fe4N2 (P4/mmm)

    .cif

    74 meV above the hull

    3mo

    Fe8N8 (F/43m) - phonon dispersion

    Image

    Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

    3mo

    FeN phase diagram

    .html

    Phase diagram of FeN; eabovehull: 0.000000 eV/atom; predicted_stable: True

    3mo

    Fe8N8 (F/43m)

    .cif

    On the hull

    3mo

    Fe11Ge9 (P4/m)

    .cif

    69 meV above the hull

    3mo

    FeGe2 (P4/mmm)

    .cif

    3meV above the hull

    3mo

    Nd2Fe14B (1).cif - 2x2x2 supercell

    .cif

    Supercell 2x2x2 of Nd2Fe14B (Space group: P4_2/mnm, 128 symmetry operations)

    3mo

    Fe7Sn (P4/mmm)

    .cif

    22 meV above the hull

    3mo

    Fe2Sn9 (P4) - 3x3x3 supercell

    .cif

    Supercell 3x3x3 of Fe2Sn9 (Space group: P4, 108 symmetry operations)

    3mo
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