Activity Feed

1. Generated crystal structures with magnetic density 0.12, HHI score 0.3

   .zip file

   8 generated crystal structures with magnetic density 0.12, HHI score 0.3

   @mmoderwell#permanent-magnetsjust now

2. Generated crystal structures with magnetic density 0.14, HHI score 0.2

   .zip file

   8 generated crystal structures with magnetic density 0.14, HHI score 0.2

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3. Mn10Al2C phase diagram

   .html file

   Phase diagram of Mn10Al2C; e_above_hull: 0.164387 eV/atom; predicted_stable: False

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4. FeCoNiBiS phase diagram

   .html file

   Phase diagram of FeCoNiBiS; e_above_hull: 0.293533 eV/atom; predicted_stable: False

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5. GaFe2CoN phase diagram

   .html file

   Phase diagram of GaFe2CoN; e_above_hull: 0.104656 eV/atom; predicted_stable: False

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6. GaFe2CoN (P4/mmm) 1 - relaxed

   .cif file

   Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.9396 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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7. GaFe2CoN (P4/mmm) 1

   .cif file

   Fe2CoGaN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoGaN)

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8. Fe4CoSiB2 phase diagram 4

   .html file

   Phase diagram of Fe4CoSiB2; e_above_hull: 0.418971 eV/atom; predicted_stable: False

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9. Fe4CoSiB2 (P4/mmm) 4 - relaxed

   .cif file

   Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4669 eV; energy change = -0.0040 eV; symmetry: P4/mmm → P4/mmm

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10. Fe4CoSiB2 (P4/mmm) 4

    .cif file

    Fe4CoSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

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11. Fe2CoSiB phase diagram 3

    .html file

    Phase diagram of Fe2CoSiB; e_above_hull: 1.178294 eV/atom; predicted_stable: False

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12. Fe2CoSiB (P4/mmm) 3 - relaxed

    .cif file

    Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3961 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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13. Fe2CoSiB (P4/mmm) 3

    .cif file

    Fe2CoSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

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14. Fe3CoBN phase diagram

    .html file

    Phase diagram of Fe3CoBN; e_above_hull: 0.647454 eV/atom; predicted_stable: False

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15. Fe3CoBN (P4mm) - relaxed

    .cif file

    Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -46.3235 eV; energy change = -0.9789 eV; symmetry: P4mm → P4mm

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16. Fe3CoBN (P4mm)

    .cif file

    Fe3CoBN (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

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17. Fe4Co2SiN phase diagram

    .html file

    Phase diagram of Fe4Co2SiN; e_above_hull: 0.651803 eV/atom; predicted_stable: False

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18. Fe4Co2SiN (P4/mmm) - relaxed

    .cif file

    Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.0970 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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19. Fe4Co2SiN (P4/mmm)

    .cif file

    Fe4Co2SiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

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20. MnFe2CoN phase diagram 1

    .html file

    Phase diagram of MnFe2CoN; e_above_hull: 0.160853 eV/atom; predicted_stable: False

    @will#materials-science17h