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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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    1623 total

    Fe7Co5N1 (Cm) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz

    8mo

    Fe7Co5N1 (Cm)

    .cif

    Fe7Co5N1 (requested SG: P312 #149, calculated SG: Cm #8, optimized: 182 steps, cell relaxed (isotropic))

    8mo

    MnFe6Co2N phase diagram

    .html

    Phase diagram of MnFe6Co2N; eabovehull: 0.300240 eV/atom; predicted_stable: False

    8mo

    Fe6Co2Mn1N1 (Amm2) - phonon dispersion

    Image

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

    8mo

    Fe6Co2Mn1N1 (Amm2)

    .cif

    Fe6Co2Mn1N1 (requested SG: P4mm #99, calculated SG: Amm2 #38, optimized: 128 steps, cell relaxed (isotropic))

    8mo

    Mn2Fe9Co4N phase diagram

    .html

    Phase diagram of Mn2Fe9Co4N; eabovehull: 0.139373 eV/atom; predicted_stable: False

    8mo

    Fe9Co4Mn2N1 (P1) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz

    8mo

    Fe9Co4Mn2N1 (P1)

    .cif

    Fe9Co4Mn2N1 (requested SG: P-42m #111, calculated SG: P1 #1, optimized: 330 steps, cell relaxed (isotropic))

    8mo

    Mn3Fe11Co4N phase diagram

    .html

    Phase diagram of Mn3Fe11Co4N; eabovehull: 0.155435 eV/atom; predicted_stable: False

    8mo

    Fe11Co4Mn3N1 (P1) - phonon dispersion

    Image

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

    8mo

    Fe11Co4Mn3N1 (P1)

    .cif

    Fe11Co4Mn3N1 (requested SG: P-42m #111, calculated SG: P1 #1, optimized: 158 steps, cell relaxed (isotropic))

    8mo

    Fe12Co5Mn2N1 (P1) - phonon dispersion

    Image

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

    8mo

    Mn2Fe12Co5N phase diagram

    .html

    Phase diagram of Mn2Fe12Co5N; eabovehull: 0.115978 eV/atom; predicted_stable: False

    8mo

    Fe12Co5Mn2N1 (P1)

    .cif

    Fe12Co5Mn2N1 (requested SG: P-42m #111, calculated SG: P1 #1, optimized: 343 steps, cell relaxed (isotropic))

    8mo

    Mn2Fe8Co3N phase diagram

    .html

    Phase diagram of Mn2Fe8Co3N; eabovehull: 0.123373 eV/atom; predicted_stable: False

    8mo

    Fe8Co3Mn2N1 (P1) - phonon dispersion

    Image

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

    8mo

    Fe8Co3Mn2N1 (P1)

    .cif

    Fe8Co3Mn2N1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 395 steps, cell relaxed (isotropic))

    8mo

    Fe4Co4Mn1N1 (P4mm) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.04 THz

    8mo

    MnFe4Co4N phase diagram

    .html

    Phase diagram of MnFe4Co4N; eabovehull: 0.505384 eV/atom; predicted_stable: False

    8mo

    Fe4Co4Mn1N1 (P4mm)

    .cif

    Fe4Co4Mn1N1 (requested space group: P4mm #99, optimized: 51 steps, cell relaxed (isotropic))

    8mo
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