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Matt Moderwell

@mmoderwell

Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.

5975 XPLevel 60
14 followers22 following
2.18K files5 datasets

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  • Files

    1587 total

    Fe5Mn1Co2B4_SG1_generated_n12atoms.cif - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.84 THz

    6mo

    MnFe5(CoB2)2 phase diagram

    .html file

    Phase diagram of MnFe5(CoB2)2; eabovehull: 0.806117 eV/atom; predicted_stable: False

    6mo

    Mn3(FeB)4 phase diagram 1

    .html file

    Phase diagram of Mn3(FeB)4; eabovehull: 0.219770 eV/atom; predicted_stable: False

    6mo

    Fe4Mn3B4 (Pm) - phonon dispersion 1

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.02 THz

    6mo

    Mn3(FeB)4 phase diagram

    .html file

    Phase diagram of Mn3(FeB)4; eabovehull: 0.219777 eV/atom; predicted_stable: False

    6mo

    Fe4Mn3B4 (Pm) - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.07 THz

    6mo

    Fe4Mn3B4 (Pm)

    .cif file

    Fe4Mn3B4 (requested SG: P422 #89, calculated SG: Pm #6, optimized: 108 steps, cell relaxed (isotropic))

    6mo

    TiMn2VFe6CoB2N phase diagram

    .html file

    Phase diagram of TiMn2VFe6CoB2N; eabovehull: 0.250276 eV/atom; predicted_stable: False

    6mo

    TiVFe6Co3B2N phase diagram

    .html file

    Phase diagram of TiVFe6Co3B2N; eabovehull: 0.272900 eV/atom; predicted_stable: False

    6mo

    TiVFe6Co3B2N_SG1_n14atoms.cif - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.96 THz

    6mo

    Ti2Fe6Co3B2N phase diagram

    .html file

    Phase diagram of Ti2Fe6Co3B2N; eabovehull: 0.301946 eV/atom; predicted_stable: False

    6mo

    Fe6Co4B2N phase diagram

    .html file

    Phase diagram of Fe6Co4B2N; eabovehull: 0.324374 eV/atom; predicted_stable: False

    6mo

    MnVFe3Co3N2_SG1_n10atoms.cif - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.25 THz

    6mo

    MnVFe3Co3N2 phase diagram

    .html file

    Phase diagram of MnVFe3Co3N2; eabovehull: 0.233388 eV/atom; predicted_stable: False

    6mo

    MnFe4Co2NiN2 phase diagram

    .html file

    Phase diagram of MnFe4Co2NiN2; eabovehull: 0.114472 eV/atom; predicted_stable: False

    6mo

    MnFe4Co2NiN2_SG1_n10atoms.cif - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.02 THz

    6mo

    Fe4Co2Mn2N2_SG1_generated_n10atoms.cif - phonon dispersion

    Image file

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

    6mo

    MnFe2CoN phase diagram

    .html file

    Phase diagram of MnFe2CoN; eabovehull: 0.154637 eV/atom; predicted_stable: False

    6mo

    Fe4Co3MnN2_SG1_generated_n10atoms.cif - phonon dispersion

    Image file

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -7.41 THz

    6mo

    MnFe4Co3N2 phase diagram

    .html file

    Phase diagram of MnFe4Co3N2; eabovehull: 0.111040 eV/atom; predicted_stable: False

    6mo
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