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6.76K files204 datasets131 services411 posts

    Files

    6764 total

    Fe8Ti2BN2 (P1)

    .cif

    Fe8Ti2BN2 (requested SG: Pmm2 #25, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

    7mo

    Ti2Fe9B3C phase diagram

    .html

    Phase diagram of Ti2Fe9B3C; eabovehull: 0.255733 eV/atom; predicted_stable: False

    7mo

    Fe9Ti2B3C (P1)

    .cif

    Fe9Ti2B3C (requested SG: Pmm2 #25, calculated SG: P1 #1, optimized: 240 steps, cell relaxed (isotropic))

    7mo

    Ti2Fe7SiB3 phase diagram

    .html

    Phase diagram of Ti2Fe7SiB3; eabovehull: 0.251508 eV/atom; predicted_stable: False

    7mo

    Fe7Ti2SiB3 (P1)

    .cif

    Fe7Ti2SiB3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 381 steps, cell relaxed (isotropic))

    7mo

    Mn2Fe8SiB2 phase diagram 1

    .html

    Phase diagram of Mn2Fe8SiB2; eabovehull: 0.219186 eV/atom; predicted_stable: False

    7mo

    Fe8Mn2SiB2 (Cm)

    .cif

    Fe8Mn2SiB2 (requested SG: P4mm #99, calculated SG: Cm #8, optimized: 146 steps, cell relaxed (isotropic))

    7mo

    Fe4Co3Ni2B1 (P3m1) - phonon dispersion

    Image

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

    7mo

    Fe4Co2Ni2B2 (P1) - phonon dispersion

    Image

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

    7mo

    Fe2CoNiB phase diagram

    .html

    Phase diagram of Fe2CoNiB; eabovehull: 0.162034 eV/atom; predicted_stable: False

    7mo

    Ti3Fe12Si2CN2 phase diagram

    .html

    Phase diagram of Ti3Fe12Si2CN2; eabovehull: 1.390822 eV/atom; predicted_stable: False

    7mo

    Fe4Co2Ni2B2 (P1)

    .cif

    Fe4Co2Ni2B2 (requested SG: P3 #143, calculated SG: P1 #1, optimized: 166 steps, cell relaxed (isotropic))

    7mo

    Fe8Co6Ni4B1 (P1) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.47 THz

    7mo

    Fe8Co6Ni4B phase diagram

    .html

    Phase diagram of Fe8Co6Ni4B; eabovehull: 0.170974 eV/atom; predicted_stable: False

    7mo

    Fe8Co6Ni4B1 (P1)

    .cif

    Fe8Co6Ni4B1 (requested SG: P3 #143, calculated SG: P1 #1, optimized: 154 steps, cell relaxed (isotropic))

    7mo

    Fe12Ti3Si2N2C (P1)

    .cif

    Fe12Ti3Si2N2C (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

    7mo

    Fe4Co3Ni2B phase diagram 1

    .html

    Phase diagram of Fe4Co3Ni2B; eabovehull: 0.655907 eV/atom; predicted_stable: False

    7mo

    Fe4Co3Ni2B1 (P-62m) - phonon dispersion

    Image

    Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.89 THz

    7mo

    Fe4Co3Ni2B1 (P-62m)

    .cif

    Fe4Co3Ni2B1 (requested SG: P622 #177, calculated SG: P-62m #189, optimized: 85 steps, cell relaxed (isotropic))

    7mo

    VFe8SiNi2B3 phase diagram

    .html

    Phase diagram of VFe8SiNi2B3; eabovehull: 0.283432 eV/atom; predicted_stable: False

    7mo
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