Ouro
  • Docs
  • Blog
Join for freeSign in
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
Entity profile picture

@will

magnet enjoyer

1860 XPLevel 19
4 followers1 following
3.96K files0 datasets0 services14 posts

Badges

Organizations

Teams

Files

3917 total

Fe4CoB2P (Pm) 1

.cif file

Fe4CoB2P (space group: Pm #6, crystal system: monoclinic, point group: m)

3mo

Fe2CoSiN phase diagram 1

.html file

Phase diagram of Fe2CoSiN; e_above_hull: 0.400746 eV/atom; predicted_stable: False

3mo

Fe2CoSiN (P4/mmm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.1442 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

3mo

Fe2CoSiN (P4/mmm) 1

.cif file

Fe2CoSiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

3mo

Fe2CoSiB phase diagram

.html file

Phase diagram of Fe2CoSiB; e_above_hull: 1.178296 eV/atom; predicted_stable: False

3mo

Fe2CoSiB (P4/mmm) - 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

3mo

Fe2CoSiB (P4/mmm)

.cif file

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

3mo

MnFe3Si phase diagram 1

.html file

Phase diagram of MnFe3Si; e_above_hull: 1.230595 eV/atom; predicted_stable: False

3mo

MnFe3Si (Pm-3m) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.0915 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

3mo

MnFe3Si (Pm-3m)

.cif file

Fe3MnSi (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3MnSi)

3mo

Fe4CoB2P phase diagram

.html file

Phase diagram of Fe4CoB2P; e_above_hull: 0.404065 eV/atom; predicted_stable: False

3mo

Fe4CoB2P (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.7834 eV; energy change = -18.0683 eV; symmetry: Pm → Pm

3mo

Fe4CoB2P (Pm)

.cif file

Fe4CoPB2 (space group: Pm #6, crystal system: monoclinic, point group: m) (missed expected composition: Fe4CoPB2)

3mo

Fe3CoSiN3 phase diagram

.html file

Phase diagram of Fe3CoSiN3; e_above_hull: 1.510628 eV/atom; predicted_stable: False

3mo

Fe3CoSiN3 (Pm-3m) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -53.8882 eV; energy change = -3.3769 eV; symmetry: Pm-3m → R3

3mo

Fe3CoSiN3 (Pm-3m)

.cif file

Fe3CoSiN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3CoSiN)

3mo

AlFeCo4B phase diagram

.html file

Phase diagram of AlFeCo4B; e_above_hull: 0.487743 eV/atom; predicted_stable: False

3mo

AlFeCo4B (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -46.0499 eV; energy change = -0.4070 eV; symmetry: P4/mmm → P4/mmm

3mo

AlFeCo4B (P4/mmm)

.cif file

Co2FeAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Co2FeAlB)

3mo

MnAlNi2 phase diagram

.html file

Phase diagram of MnAlNi2; e_above_hull: 0.149686 eV/atom; predicted_stable: False

3mo
  • Previous
  • 1
  • More pages
  • 142
  • 143
  • 144
  • More pages
  • 196
  • Next