Activity Feed

1. PbTe

   .cif file

   (Space group: P1 #1, Crystal system: triclinic, Point group: 1)

   @will#materials-science1h

2. Fe4N - relaxed - 3x3x3 supercell

   .cif file

   Supercell 3x3x3 of Fe4N (Space group: P4/mmm, 432 symmetry operations)

   @mmoderwell

   #materials-science11h

3. Fe4N phase diagram

   .html file

   Phase diagram of Fe4N; e_above_hull: 0.095540 eV/atom; predicted_stable: False

   @mmoderwell

   #materials-science11h

4. Fe4N - relaxed

   .cif file

   Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.9630 eV; energy change = -0.0786 eV; symmetry: P4/mmm → P4/mmm

   @mmoderwell

   #materials-science11h

5. Fe4N

   .cif file

   (Space group: P4/mmm #123, Crystal system: tetragonal, Point group: 4/mmm)

   @mmoderwell

   #materials-science11h

6. Fe18N - relaxed

   .cif file

   Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -169.4704 eV; energy change = -146.2408 eV; symmetry: P1 → P1

   @mmoderwell

   #materials-science11h

7. Fe18N

   .cif file

   (Space group: P1 #1, Crystal system: triclinic, Point group: 1)

   @mmoderwell

   #materials-science12h

8. Fe5N phase diagram

   .html file

   Phase diagram of Fe5N; e_above_hull: 0.179151 eV/atom; predicted_stable: False

   @mmoderwell

   #materials-science12h

9. Fe10N

   .cif file

   (Space group: C2/m #12, Crystal system: monoclinic, Point group: 2/m)

   @mmoderwell

   #materials-science12h

10. Fe3Ni phase diagram

    .html file

    Phase diagram of Fe3Ni; e_above_hull: 0.090971 eV/atom; predicted_stable: False

    @mmoderwell

    #materials-science12h

11. Fe3Ni

    .cif file

    (Space group: Pmmm #47, Crystal system: orthorhombic, Point group: mmm)

    @mmoderwell

    #materials-science12h

12. FeNi2

    .cif file

    (Space group: P4/mmm #123, Crystal system: tetragonal, Point group: 4/mmm)

    @mmoderwell

    #materials-science12h

13. FeNi phase diagram

    .html file

    Phase diagram of FeNi; e_above_hull: 0.000000 eV/atom; predicted_stable: True

    @mmoderwell

    #materials-science13h

14. FeNi 1

    .cif file

    FeNi (Space group: P4/mmm #123, Crystal system: tetragonal, Point group: 4/mmm)

    @mmoderwell

    #materials-science13h

15. Crystal structures for composition: FeNi

    .zip file

    2 unique crystal structures for composition FeNi

    @mmoderwell

    #materials-science17h

16. Crystal structures for composition: Fe12Bi2S

    .zip file

    4 unique crystal structures for composition Fe12Bi2S

    @mmoderwell

    #materials-science1d

17. Chemeleon

    service

    is a text-guided diffusion model for crystal structure generation. Generate structures from text descriptions, target compositions, or explore chemical systems.

    @mmoderwell

    #materials-science1d

18. Fe6N phase diagram

    .html file

    Phase diagram of Fe6N; e_above_hull: 0.272291 eV/atom; predicted_stable: False

    @mmoderwell

    #permanent-magnets1d

19. Fe12N2 chemeleon gen_0 - relaxed - 2x2x2 supercell

    .cif file

    Supercell 2x2x2 of Fe6N (Space group: P1, 8 symmetry operations)

    @mmoderwell

    #permanent-magnets1d

20. Fe12N2 chemeleon gen_0 - relaxed

    .cif file

    Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -114.7984 eV; energy change = -1.2879 eV; symmetry: P1 → P1

    @mmoderwell

    #permanent-magnets1d