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Matt Moderwell

@mmoderwell

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

6505 XPLevel 66
16 followers24 following
2.22K files5 datasets13 services

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  • Files

    1623 total

    Mn2Fe3CoNiB4_SG1_n11atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz

    7mo

    CrFe7Co2NiB4 phase diagram

    .html

    Phase diagram of CrFe7Co2NiB4; eabovehull: 0.226393 eV/atom; predicted_stable: False

    7mo

    Fe7Co2Cr1Ni1B4 (P1) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz

    7mo

    Fe7Co2Cr1Ni1B4 (P1)

    .cif

    Fe7Co2Cr1Ni1B4 (requested SG: P-1 #2, calculated SG: P1 #1, optimized: 173 steps, cell relaxed (isotropic))

    7mo

    MnCr2(FeB)4 phase diagram 1

    .html

    Phase diagram of MnCr2(FeB)4; eabovehull: 0.651686 eV/atom; predicted_stable: False

    7mo

    Fe4Cr2Mn1B4_SG1_generated_n11atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.28 THz

    7mo

    MnFe4(CoB2)2 phase diagram 5

    .html

    Phase diagram of MnFe4(CoB2)2; eabovehull: 0.261818 eV/atom; predicted_stable: False

    7mo

    MnFe4(CoB2)2_SG8_n11atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.23 THz

    7mo

    Fe4Mn3B4_SG123_generated_n11atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -28.59 THz

    7mo

    Mn3(FeB)4 phase diagram 11

    .html

    Phase diagram of Mn3(FeB)4; eabovehull: 1.093942 eV/atom; predicted_stable: False

    7mo

    MnCr2(FeB)4_SG2_n11atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz

    7mo

    MnCr2(FeB)4 phase diagram

    .html

    Phase diagram of MnCr2(FeB)4; eabovehull: 0.248975 eV/atom; predicted_stable: False

    7mo

    Mn3(FeB)4 phase diagram 10

    .html

    Phase diagram of Mn3(FeB)4; eabovehull: 0.241066 eV/atom; predicted_stable: False

    7mo

    Fe4Mn3B4 (P-1) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz

    7mo

    Fe4Mn3B4 (P-1)

    .cif

    Fe4Mn3B4 (requested SG: P422 #89, calculated SG: P-1 #2, optimized: 151 steps, cell relaxed (isotropic))

    7mo

    MnCr(FeB)4 phase diagram

    .html

    Phase diagram of MnCr(FeB)4; eabovehull: 0.795785 eV/atom; predicted_stable: False

    7mo

    Fe4Mn1Cr1B4_SG1_generated_n10atoms.cif - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.92 THz

    7mo

    Fe4Mn2B4Ti (P1) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz

    7mo

    TiMn2(FeB)4 phase diagram

    .html

    Phase diagram of TiMn2(FeB)4; eabovehull: 0.291361 eV/atom; predicted_stable: False

    7mo

    Fe4Mn2B4Ti (P1)

    .cif

    Fe4Mn2B4Ti (requested SG: P-6m2 #187, calculated SG: P1 #1, optimized: 175 steps, cell relaxed (isotropic))

    7mo
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